6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

C94H85F5N22O5 — CID 160629089

IUPAC6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)c(F)cc2F)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H17F2N5O.C19H16F2N4O.C19H17FN4O.C19H18N4O.C18H17N5O/c1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-12-4-3-5-13(6-12)19(26)24-17-8-18(16(21)7-15(17)20)25(2)14-9-22-11-23-10-14;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-14-5-3-6-15(9-14)19(24)22-16-7-4-8-17(10-16)23(2)18-11-20-13-21-12-18;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16/h3-12H,1-2H3,(H,24,27);3-11H,1-2H3,(H,24,26);3-12H,1-2H3,(H,23,25);3-13H,1-2H3,(H,22,24);3-12H,1-2H3,(H,22,24)
InChIKeyRHRPYZWPWSKVPN-UHFFFAOYSA-N
MW1697.85 g/mol
LogP19.04
Rot. Bonds21

About 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 160629089) has the molecular formula C94H85F5N22O5 and a molecular weight of 1697.85 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
PubChem CID160629089
Molecular FormulaC94H85F5N22O5
Molecular Weight1697.85 g/mol
Exact Mass1696.70
IUPAC Name6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESCN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)c(F)cc2F)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C19H17F2N5O.C19H16F2N4O.C19H17FN4O.C19H18N4O.C18H17N5O/c1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-12-4-3-5-13(6-12)19(26)24-17-8-18(16(21)7-15(17)20)25(2)14-9-22-11-23-10-14;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-14-5-3-6-15(9-14)19(24)22-16-7-4-8-17(10-16)23(2)18-11-20-13-21-12-18;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16/h3-12H,1-2H3,(H,24,27);3-11H,1-2H3,(H,24,26);3-12H,1-2H3,(H,23,25);3-13H,1-2H3,(H,22,24);3-12H,1-2H3,(H,22,24)
InChIKeyRHRPYZWPWSKVPN-UHFFFAOYSA-N
XLogP19.04
TPSA316.38 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.85
LogP ≤ 519.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 137348835
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68162802
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187418
Flumatinib Mesylate
CID 46910592
N-(4-methyl-3-(4-(pyrimidin-5-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
CID 9807952
N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
CID 10053560
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 44571813
3-amino-N-[4-(2-aminopyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68161594
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CID 68161865

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (CID 160629089) is 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is CN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)c(F)cc2F)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccc2F)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is RHRPYZWPWSKVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O.C19H16F2N4O.C19H17FN4O.C19H18N4O.C18H17N5O/c1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-12-4-3-5-13(6-12)19(26)24-17-8-18(16(21)7-15(17)20)25(2)14-9-22-11-23-10-14;1-13-4-3-5-14(8-13)19(25)23-18-9-15(6-7-17(18)20)24(2)16-10-21-12-22-11-16;1-14-5-3-6-15(9-14)19(24)22-16-7-4-8-17(10-16)23(2)18-11-20-13-21-12-18;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16/h3-12H,1-2H3,(H,24,27);3-11H,1-2H3,(H,24,26);3-12H,1-2H3,(H,23,25);3-13H,1-2H3,(H,22,24);3-12H,1-2H3,(H,22,24).
What are the key properties of 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 1697.85 g/mol, XLogP of 19.04, 21 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[2,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-methylbenzamide;3-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 160629089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).