N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide

C26H21N7O — CID 11633725

IUPACN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C26H21N7O/c1-18-4-7-21(30-25(34)20-3-2-11-27-16-20)15-24(18)32-26-29-12-10-23(31-26)19-5-8-22(9-6-19)33-14-13-28-17-33/h2-17H,1H3,(H,30,34)(H,29,31,32)
InChIKeyTVWNOSCNUOUYKC-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.03
Rot. Bonds6

About N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide

N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide (PubChem CID 11633725) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide
PubChem CID11633725
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC NameN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C26H21N7O/c1-18-4-7-21(30-25(34)20-3-2-11-27-16-20)15-24(18)32-26-29-12-10-23(31-26)19-5-8-22(9-6-19)33-14-13-28-17-33/h2-17H,1H3,(H,30,34)(H,29,31,32)
InChIKeyTVWNOSCNUOUYKC-UHFFFAOYSA-N
XLogP5.03
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
CID 11518257
3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 69235451
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 59198168
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;hydrobromide
CID 66555548
5-methyl-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 59198128
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-5-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 11648694
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 175243985
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 25124216
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 11202429

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide (CID 11633725) is N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide?
The InChIKey is TVWNOSCNUOUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-18-4-7-21(30-25(34)20-3-2-11-27-16-20)15-24(18)32-26-29-12-10-23(31-26)19-5-8-22(9-6-19)33-14-13-28-17-33/h2-17H,1H3,(H,30,34)(H,29,31,32).
What are the key properties of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide?
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11633725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).