2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide

C139H157F7N24O16 — CID 158966616

IUPAC2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
SMILESC=C(C)c1ccc(F)c(NC(=O)c2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4COC4)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C31H37F3N6O3.C28H32F3N5O3.C28H30FN3O3.C26H29N5O4.C26H29N5O3/c1-4-38-6-8-39(9-7-38)26-15-22(14-24(17-26)31(32,33)34)29(41)37-25-18-27(21(3)35-20-25)23-16-28(30(36-19-23)43-5-2)40-10-12-42-13-11-40;1-5-39-27-25(36-6-8-38-9-7-36)13-21(15-33-27)24-14-23(16-32-18(24)2)34-26(37)20-10-19(17-35(3)4)11-22(12-20)28(29,30)31;1-5-35-28-26(32-10-12-34-13-11-32)16-22(17-30-28)23-14-21(7-6-19(23)4)27(33)31-25-15-20(18(2)3)8-9-24(25)29;1-3-35-26-24(31-6-8-33-9-7-31)11-19(13-29-26)22-12-21(14-28-17(22)2)30-25(32)18-4-5-27-23(10-18)20-15-34-16-20;1-3-34-26-24(31-8-10-33-11-9-31)13-20(15-29-26)22-14-21(16-28-17(22)2)30-25(32)19-6-7-27-23(12-19)18-4-5-18/h14-20H,4-13H2,1-3H3,(H,37,41);10-16H,5-9,17H2,1-4H3,(H,34,37);6-9,14-17H,2,5,10-13H2,1,3-4H3,(H,31,33);4-5,10-14,20H,3,6-9,15-16H2,1-2H3,(H,30,32);6-7,12-16,18H,3-5,8-11H2,1-2H3,(H,30,32)
InChIKeyJNHAMFKHHBROML-UHFFFAOYSA-N
MW2552.92 g/mol
LogP23.50
Rot. Bonds37

About 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide

2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (PubChem CID 158966616) has the molecular formula C139H157F7N24O16 and a molecular weight of 2552.92 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
PubChem CID158966616
Molecular FormulaC139H157F7N24O16
Molecular Weight2552.92 g/mol
Exact Mass2551.21
IUPAC Name2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
SMILESC=C(C)c1ccc(F)c(NC(=O)c2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4COC4)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C31H37F3N6O3.C28H32F3N5O3.C28H30FN3O3.C26H29N5O4.C26H29N5O3/c1-4-38-6-8-39(9-7-38)26-15-22(14-24(17-26)31(32,33)34)29(41)37-25-18-27(21(3)35-20-25)23-16-28(30(36-19-23)43-5-2)40-10-12-42-13-11-40;1-5-39-27-25(36-6-8-38-9-7-36)13-21(15-33-27)24-14-23(16-32-18(24)2)34-26(37)20-10-19(17-35(3)4)11-22(12-20)28(29,30)31;1-5-35-28-26(32-10-12-34-13-11-32)16-22(17-30-28)23-14-21(7-6-19(23)4)27(33)31-25-15-20(18(2)3)8-9-24(25)29;1-3-35-26-24(31-6-8-33-9-7-31)11-19(13-29-26)22-12-21(14-28-17(22)2)30-25(32)18-4-5-27-23(10-18)20-15-34-16-20;1-3-34-26-24(31-8-10-33-11-9-31)13-20(15-29-26)22-14-21(16-28-17(22)2)30-25(32)19-6-7-27-23(12-19)18-4-5-18/h14-20H,4-13H2,1-3H3,(H,37,41);10-16H,5-9,17H2,1-4H3,(H,34,37);6-9,14-17H,2,5,10-13H2,1,3-4H3,(H,31,33);4-5,10-14,20H,3,6-9,15-16H2,1-2H3,(H,30,32);6-7,12-16,18H,3-5,8-11H2,1-2H3,(H,30,32)
InChIKeyJNHAMFKHHBROML-UHFFFAOYSA-N
XLogP23.50
TPSA414.74 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002552.92
LogP ≤ 523.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (CID 158966616) is 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide is C=C(C)c1ccc(F)c(NC(=O)c2ccc(C)c(-c3cnc(OCC)c(N4CCOCC4)c3)c2)c1.CCOc1ncc(-c2cc(NC(=O)c3cc(CN(C)C)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cc(N4CCN(CC)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4CC4)c3)cnc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C4COC4)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The InChIKey is JNHAMFKHHBROML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O3.C28H32F3N5O3.C28H30FN3O3.C26H29N5O4.C26H29N5O3/c1-4-38-6-8-39(9-7-38)26-15-22(14-24(17-26)31(32,33)34)29(41)37-25-18-27(21(3)35-20-25)23-16-28(30(36-19-23)43-5-2)40-10-12-42-13-11-40;1-5-39-27-25(36-6-8-38-9-7-36)13-21(15-33-27)24-14-23(16-32-18(24)2)34-26(37)20-10-19(17-35(3)4)11-22(12-20)28(29,30)31;1-5-35-28-26(32-10-12-34-13-11-32)16-22(17-30-28)23-14-21(7-6-19(23)4)27(33)31-25-15-20(18(2)3)8-9-24(25)29;1-3-35-26-24(31-6-8-33-9-7-31)11-19(13-29-26)22-12-21(14-28-17(22)2)30-25(32)18-4-5-27-23(10-18)20-15-34-16-20;1-3-34-26-24(31-8-10-33-11-9-31)13-20(15-29-26)22-14-21(16-28-17(22)2)30-25(32)19-6-7-27-23(12-19)18-4-5-18/h14-20H,4-13H2,1-3H3,(H,37,41);10-16H,5-9,17H2,1-4H3,(H,34,37);6-9,14-17H,2,5,10-13H2,1,3-4H3,(H,31,33);4-5,10-14,20H,3,6-9,15-16H2,1-2H3,(H,30,32);6-7,12-16,18H,3-5,8-11H2,1-2H3,(H,30,32).
What are the key properties of 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide has a molecular weight of 2552.92 g/mol, XLogP of 23.50, 37 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 158966616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).