6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

C19H19Cl2N3O2 — CID 109099941

IUPAC6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H19Cl2N3O2/c20-13-7-5-8-14(21)17(13)23-18(25)15-9-6-10-16(22-15)19(26)24-11-3-1-2-4-12-24/h5-10H,1-4,11-12H2,(H,23,25)
InChIKeyQAKNAZRHGKGLHJ-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.66
Rot. Bonds3

About 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 109099941) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
PubChem CID109099941
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)N2CCCCCC2)n1
InChIInChI=1S/C19H19Cl2N3O2/c20-13-7-5-8-14(21)17(13)23-18(25)15-9-6-10-16(22-15)19(26)24-11-3-1-2-4-12-24/h5-10H,1-4,11-12H2,(H,23,25)
InChIKeyQAKNAZRHGKGLHJ-UHFFFAOYSA-N
XLogP4.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186

Frequently Asked Questions

What is the IUPAC name of 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (CID 109099941) is 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cccc(C(=O)N2CCCCCC2)n1.
What is the InChIKey of 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is QAKNAZRHGKGLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-13-7-5-8-14(21)17(13)23-18(25)15-9-6-10-16(22-15)19(26)24-11-3-1-2-4-12-24/h5-10H,1-4,11-12H2,(H,23,25).
What are the key properties of 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109099941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).