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

C19H19Cl2N3O2 — CID 109090713

IUPAC4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-6-5-7-15(21)17(14)23-18(25)16-12-13(8-9-22-16)19(26)24-10-3-1-2-4-11-24/h5-9,12H,1-4,10-11H2,(H,23,25)
InChIKeySRMSPBCXEHHWKX-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.66
Rot. Bonds3

About 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 109090713) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
PubChem CID109090713
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCCC2)ccn1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-6-5-7-15(21)17(14)23-18(25)16-12-13(8-9-22-16)19(26)24-10-3-1-2-4-11-24/h5-9,12H,1-4,10-11H2,(H,23,25)
InChIKeySRMSPBCXEHHWKX-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)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
4-(azepane-1-carbonyl)-N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 109090661
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
N-(2,6-dichlorophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081931
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081046
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (CID 109090713) is 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is SRMSPBCXEHHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-14-6-5-7-15(21)17(14)23-18(25)16-12-13(8-9-22-16)19(26)24-10-3-1-2-4-11-24/h5-9,12H,1-4,10-11H2,(H,23,25).
What are the key properties of 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
4-(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 4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109090713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).