2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide

C30H32N6O — CID 25127999

IUPAC2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCc1ncc(Nc2nccc(-c3ccccc3)n2)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C30H32N6O/c1-21-13-16-36(17-14-21)20-23-8-10-25(11-9-23)33-29(37)27-18-26(19-32-22(27)2)34-30-31-15-12-28(35-30)24-6-4-3-5-7-24/h3-12,15,18-19,21H,13-14,16-17,20H2,1-2H3,(H,33,37)(H,31,34,35)
InChIKeyLJHQEGKZBFQGQG-UHFFFAOYSA-N
MW492.63 g/mol
LogP6.07
Rot. Bonds7

About 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide

2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 25127999) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
PubChem CID25127999
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCc1ncc(Nc2nccc(-c3ccccc3)n2)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C30H32N6O/c1-21-13-16-36(17-14-21)20-23-8-10-25(11-9-23)33-29(37)27-18-26(19-32-22(27)2)34-30-31-15-12-28(35-30)24-6-4-3-5-7-24/h3-12,15,18-19,21H,13-14,16-17,20H2,1-2H3,(H,33,37)(H,31,34,35)
InChIKeyLJHQEGKZBFQGQG-UHFFFAOYSA-N
XLogP6.07
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 25127667
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-4-carboxamide;N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]pyridine-3-carboxamide
CID 162093591
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946472
N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;N-[3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide;propane;bis(N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide)
CID 161040635
methane;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 66715616
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;molecular hydrogen
CID 157040347
7-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55972632
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;phenyl acetate
CID 68906377
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide (CID 25127999) is 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide is Cc1ncc(Nc2nccc(-c3ccccc3)n2)cc1C(=O)Nc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is LJHQEGKZBFQGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-21-13-16-36(17-14-21)20-23-8-10-25(11-9-23)33-29(37)27-18-26(19-32-22(27)2)34-30-31-15-12-28(35-30)24-6-4-3-5-7-24/h3-12,15,18-19,21H,13-14,16-17,20H2,1-2H3,(H,33,37)(H,31,34,35).
What are the key properties of 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide?
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 25127999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).