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

C30H32N6O — CID 25127667

IUPAC5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cnc(Nc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C30H32N6O/c1-21-12-14-36(15-13-21)20-23-8-10-26(11-9-23)33-29(37)25-16-27(19-31-18-25)34-30-32-17-22(2)28(35-30)24-6-4-3-5-7-24/h3-11,16-19,21H,12-15,20H2,1-2H3,(H,33,37)(H,32,34,35)
InChIKeySNNDMEXVQLHLTL-UHFFFAOYSA-N
MW492.63 g/mol
LogP6.07
Rot. Bonds7

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

5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 25127667) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID25127667
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC Name5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cnc(Nc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1
InChIInChI=1S/C30H32N6O/c1-21-12-14-36(15-13-21)20-23-8-10-26(11-9-23)33-29(37)25-16-27(19-31-18-25)34-30-32-17-22(2)28(35-30)24-6-4-3-5-7-24/h3-11,16-19,21H,12-15,20H2,1-2H3,(H,33,37)(H,32,34,35)
InChIKeySNNDMEXVQLHLTL-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

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

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Related Compounds

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
2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-[(4-phenylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 25127999
4-[[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 77108359
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
1-[3-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propan-2-one
CID 147564739
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
7-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55972632
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 25127667) is 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is Cc1cnc(Nc2cncc(C(=O)Nc3ccc(CN4CCC(C)CC4)cc3)c2)nc1-c1ccccc1.
What is the InChIKey of 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SNNDMEXVQLHLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-21-12-14-36(15-13-21)20-23-8-10-26(11-9-23)33-29(37)25-16-27(19-31-18-25)34-30-32-17-22(2)28(35-30)24-6-4-3-5-7-24/h3-11,16-19,21H,12-15,20H2,1-2H3,(H,33,37)(H,32,34,35).
What are the key properties of 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]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 5-[(5-methyl-4-phenylpyrimidin-2-yl)amino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).