6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C114H122F3N13O12S2 — CID 159193629

IUPAC6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)cc1C(=O)N2C.CCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2.CCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.Cc1ncc(CNC(=O)c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(C)C)CC3)O4)c(F)c2)cc1F
InChIInChI=1S/C30H31F2N3O3.C30H32FN3O3.C28H31N3O3S.C26H28N4O3S/c1-18(2)35-10-8-30(9-11-35)15-27(36)24-13-21(5-7-28(24)38-30)23-6-4-22(14-26(23)32)29(37)34-17-20-12-25(31)19(3)33-16-20;1-20(2)34-15-13-30(14-16-34)33(3)29(36)26-18-24(11-12-27(26)37-30)22-7-9-23(10-8-22)28(35)32-19-21-5-4-6-25(31)17-21;1-2-3-12-31-13-10-28(11-14-31)17-25(32)23-16-20(7-9-26(23)34-28)24-8-6-21(18-29-24)27(33)30-19-22-5-4-15-35-22;1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h4-7,12-14,16,18H,8-11,15,17H2,1-3H3,(H,34,37);4-12,17-18,20H,13-16,19H2,1-3H3,(H,32,35);4-9,15-16,18H,2-3,10-14,17,19H2,1H3,(H,30,33);3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32)
InChIKeyKOJWZWRSPRDLEW-UHFFFAOYSA-N
MW1987.44 g/mol
LogP20.25
Rot. Bonds23

About 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 159193629) has the molecular formula C114H122F3N13O12S2 and a molecular weight of 1987.44 g/mol. Its IUPAC name is 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID159193629
Molecular FormulaC114H122F3N13O12S2
Molecular Weight1987.44 g/mol
Exact Mass1985.87
IUPAC Name6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)cc1C(=O)N2C.CCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2.CCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.Cc1ncc(CNC(=O)c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(C)C)CC3)O4)c(F)c2)cc1F
InChIInChI=1S/C30H31F2N3O3.C30H32FN3O3.C28H31N3O3S.C26H28N4O3S/c1-18(2)35-10-8-30(9-11-35)15-27(36)24-13-21(5-7-28(24)38-30)23-6-4-22(14-26(23)32)29(37)34-17-20-12-25(31)19(3)33-16-20;1-20(2)34-15-13-30(14-16-34)33(3)29(36)26-18-24(11-12-27(26)37-30)22-7-9-23(10-8-22)28(35)32-19-21-5-4-6-25(31)17-21;1-2-3-12-31-13-10-28(11-14-31)17-25(32)23-16-20(7-9-26(23)34-28)24-8-6-21(18-29-24)27(33)30-19-22-5-4-15-35-22;1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h4-7,12-14,16,18H,8-11,15,17H2,1-3H3,(H,34,37);4-12,17-18,20H,13-16,19H2,1-3H3,(H,32,35);4-9,15-16,18H,2-3,10-14,17,19H2,1H3,(H,30,33);3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32)
InChIKeyKOJWZWRSPRDLEW-UHFFFAOYSA-N
XLogP20.25
TPSA289.36 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001987.44
LogP ≤ 520.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 118526830
6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 118527020
6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 118527021
6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 118534548
6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 118534557
6-[1'-(3-methoxypropyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 129021857
6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 129021914
6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 135207638
6-(1'-ethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 135207643
2-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 156150557
1'-Ethyl-3-methyl-6-[5-[1-(1,3-thiazol-5-ylmethylamino)ethenyl]-2-pyridinyl]spiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 156158360
CID 158094278
CID 158094278

Frequently Asked Questions

What is the IUPAC name of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 159193629) is 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)cc1C(=O)N2C.CCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cccs4)cn3)ccc1O2.CCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.Cc1ncc(CNC(=O)c2ccc(-c3ccc4c(c3)C(=O)CC3(CCN(C(C)C)CC3)O4)c(F)c2)cc1F.
What is the InChIKey of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KOJWZWRSPRDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O3.C30H32FN3O3.C28H31N3O3S.C26H28N4O3S/c1-18(2)35-10-8-30(9-11-35)15-27(36)24-13-21(5-7-28(24)38-30)23-6-4-22(14-26(23)32)29(37)34-17-20-12-25(31)19(3)33-16-20;1-20(2)34-15-13-30(14-16-34)33(3)29(36)26-18-24(11-12-27(26)37-30)22-7-9-23(10-8-22)28(35)32-19-21-5-4-6-25(31)17-21;1-2-3-12-31-13-10-28(11-14-31)17-25(32)23-16-20(7-9-26(23)34-28)24-8-6-21(18-29-24)27(33)30-19-22-5-4-15-35-22;1-2-9-30-10-7-26(8-11-30)13-23(31)21-12-18(4-6-24(21)33-26)22-5-3-19(14-28-22)25(32)29-16-20-15-27-17-34-20/h4-7,12-14,16,18H,8-11,15,17H2,1-3H3,(H,34,37);4-12,17-18,20H,13-16,19H2,1-3H3,(H,32,35);4-9,15-16,18H,2-3,10-14,17,19H2,1H3,(H,30,33);3-6,12,14-15,17H,2,7-11,13,16H2,1H3,(H,29,32).
What are the key properties of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 1987.44 g/mol, XLogP of 20.25, 23 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide;3-fluoro-N-[(5-fluoro-6-methyl-3-pyridinyl)methyl]-4-(4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)benzamide;N-[(3-fluorophenyl)methyl]-4-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)benzamide;6-(4-oxo-1'-propylspiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 159193629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).