N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide

C106H92ClF7N30O6S — CID 123153030

IUPACN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)ccc1F.Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)c1
InChIInChI=1S/C19H16F3N5O.C18H16ClN5O.3C18H16FN5O.C15H12FN5OS/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-5-6-22-16(7-12)18(25)23-13-3-4-15(19)17(8-13)24(2)14-9-20-11-21-10-14;2*1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-21(11-5-17-8-18-6-11)14-4-10(2-3-12(14)16)20-15(22)13-7-23-9-19-13/h3-11H,1-2H3,(H,25,28);4*3-11H,1-2H3,(H,23,25);2-9H,1H3,(H,20,22)
InChIKeyHBBOWXYKWNWDEM-UHFFFAOYSA-N
MW2082.61 g/mol
LogP21.11
Rot. Bonds25

About N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide

N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 123153030) has the molecular formula C106H92ClF7N30O6S and a molecular weight of 2082.61 g/mol. Its IUPAC name is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID123153030
Molecular FormulaC106H92ClF7N30O6S
Molecular Weight2082.61 g/mol
Exact Mass2080.71
IUPAC NameN-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)ccc1F.Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)c1
InChIInChI=1S/C19H16F3N5O.C18H16ClN5O.3C18H16FN5O.C15H12FN5OS/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-5-6-22-16(7-12)18(25)23-13-3-4-15(19)17(8-13)24(2)14-9-20-11-21-10-14;2*1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-21(11-5-17-8-18-6-11)14-4-10(2-3-12(14)16)20-15(22)13-7-23-9-19-13/h3-11H,1-2H3,(H,25,28);4*3-11H,1-2H3,(H,23,25);2-9H,1H3,(H,20,22)
InChIKeyHBBOWXYKWNWDEM-UHFFFAOYSA-N
XLogP21.11
TPSA426.06 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.61
LogP ≤ 521.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide (CID 123153030) is N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide is CN(c1cncnc1)c1cc(NC(=O)c2cccc(C(C)(F)F)n2)ccc1F.CN(c1cncnc1)c1cc(NC(=O)c2cscn2)ccc1F.Cc1cccc(C(=O)Nc2ccc(Cl)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1ccnc(C(=O)Nc2ccc(F)c(N(C)c3cncnc3)c2)c1.
What is the InChIKey of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HBBOWXYKWNWDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O.C18H16ClN5O.3C18H16FN5O.C15H12FN5OS/c1-19(21,22)17-5-3-4-15(26-17)18(28)25-12-6-7-14(20)16(8-12)27(2)13-9-23-11-24-10-13;1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-12-5-6-22-16(7-12)18(25)23-13-3-4-15(19)17(8-13)24(2)14-9-20-11-21-10-14;2*1-12-4-3-5-16(22-12)18(25)23-13-6-7-15(19)17(8-13)24(2)14-9-20-11-21-10-14;1-21(11-5-17-8-18-6-11)14-4-10(2-3-12(14)16)20-15(22)13-7-23-9-19-13/h3-11H,1-2H3,(H,25,28);4*3-11H,1-2H3,(H,23,25);2-9H,1H3,(H,20,22).
What are the key properties of N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 2082.61 g/mol, XLogP of 21.11, 25 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;6-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-4-methylpyridine-2-carboxamide;bis(N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide);N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123153030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).