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

C25H32ClN5O2 — CID 42867410

IUPAC2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCC2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C25H32ClN5O2/c1-18-7-8-22(24(32)27-11-16-30-12-2-3-13-30)23(28-18)19-9-14-31(15-10-19)25(33)29-21-6-4-5-20(26)17-21/h4-8,17,19H,2-3,9-16H2,1H3,(H,27,32)(H,29,33)
InChIKeyZWIFRWUTKZDSSI-UHFFFAOYSA-N
MW470.02 g/mol
LogP4.28
Rot. Bonds6

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

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 42867410) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID42867410
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCCC2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C25H32ClN5O2/c1-18-7-8-22(24(32)27-11-16-30-12-2-3-13-30)23(28-18)19-9-14-31(15-10-19)25(33)29-21-6-4-5-20(26)17-21/h4-8,17,19H,2-3,9-16H2,1H3,(H,27,32)(H,29,33)
InChIKeyZWIFRWUTKZDSSI-UHFFFAOYSA-N
XLogP4.28
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867148
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3804624
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46069014
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
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 42867410) is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCN2CCCC2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZWIFRWUTKZDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O2/c1-18-7-8-22(24(32)27-11-16-30-12-2-3-13-30)23(28-18)19-9-14-31(15-10-19)25(33)29-21-6-4-5-20(26)17-21/h4-8,17,19H,2-3,9-16H2,1H3,(H,27,32)(H,29,33).
What are the key properties of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 470.02 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).