2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide

C24H23ClN4O2 — CID 110247677

IUPAC2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2/c1-16-20(23(30)28-19-12-10-18(25)11-13-19)15-26-22(27-16)21-9-5-6-14-29(21)24(31)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,21H,5-6,9,14H2,1H3,(H,28,30)
InChIKeyYBRNMLCQYHRWLC-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.06
Rot. Bonds4

About 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide

2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110247677) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID110247677
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2/c1-16-20(23(30)28-19-12-10-18(25)11-13-19)15-26-22(27-16)21-9-5-6-14-29(21)24(31)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,21H,5-6,9,14H2,1H3,(H,28,30)
InChIKeyYBRNMLCQYHRWLC-UHFFFAOYSA-N
XLogP5.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084578
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
4-methyl-2-[(2R)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 92637327
2-[(2R)-1-(2-acetamidoacetyl)piperidin-2-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92636569
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636755
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide (CID 110247677) is 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)c2ccccc2)ncc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is YBRNMLCQYHRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-16-20(23(30)28-19-12-10-18(25)11-13-19)15-26-22(27-16)21-9-5-6-14-29(21)24(31)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,21H,5-6,9,14H2,1H3,(H,28,30).
What are the key properties of 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide?
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).