2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C27H29ClN4O2 — CID 83287460

IUPAC2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C27H29ClN4O2/c1-18-5-3-6-20(15-18)17-29-26(33)24-10-9-19(2)30-25(24)21-11-13-32(14-12-21)27(34)31-23-8-4-7-22(28)16-23/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyNRCVIGNVPNSGBF-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.69
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 83287460) has the molecular formula C27H29ClN4O2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID83287460
Molecular FormulaC27H29ClN4O2
Molecular Weight477.01 g/mol
Exact Mass476.20
IUPAC Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C27H29ClN4O2/c1-18-5-3-6-20(15-18)17-29-26(33)24-10-9-19(2)30-25(24)21-11-13-32(14-12-21)27(34)31-23-8-4-7-22(28)16-23/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,33)(H,31,34)
InChIKeyNRCVIGNVPNSGBF-UHFFFAOYSA-N
XLogP5.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867410
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068524
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N-(3-chlorophenyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 163340304
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 83287460) is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NRCVIGNVPNSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O2/c1-18-5-3-6-20(15-18)17-29-26(33)24-10-9-19(2)30-25(24)21-11-13-32(14-12-21)27(34)31-23-8-4-7-22(28)16-23/h3-10,15-16,21H,11-14,17H2,1-2H3,(H,29,33)(H,31,34).
What are the key properties of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 477.01 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 83287460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).