2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

C19H27ClN4O2 — CID 166596041

IUPAC2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCCCC2)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl
InChIInChI=1S/C19H27ClN4O2/c1-12-16(19(26)23-14-7-8-21-15(25)11-14)18(22-13(2)17(12)20)24-9-5-3-4-6-10-24/h14H,3-11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyIKGCNPFJIDTECF-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.74
Rot. Bonds3

About 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide

2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 166596041) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
PubChem CID166596041
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide
SMILESCc1nc(N2CCCCCC2)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl
InChIInChI=1S/C19H27ClN4O2/c1-12-16(19(26)23-14-7-8-21-15(25)11-14)18(22-13(2)17(12)20)24-9-5-3-4-6-10-24/h14H,3-11H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyIKGCNPFJIDTECF-UHFFFAOYSA-N
XLogP2.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide (CID 166596041) is 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is Cc1nc(N2CCCCCC2)c(C(=O)NC2CCNC(=O)C2)c(C)c1Cl.
What is the InChIKey of 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is IKGCNPFJIDTECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-12-16(19(26)23-14-7-8-21-15(25)11-14)18(22-13(2)17(12)20)24-9-5-3-4-6-10-24/h14H,3-11H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide?
2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5-chloro-4,6-dimethyl-N-(2-oxopiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166596041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).