2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

C22H27N3O2 — CID 109090742

IUPAC2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(2)17-7-9-19(10-8-17)24-21(26)18-11-12-23-20(15-18)22(27)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyLBZCPETZPONIPZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.47
Rot. Bonds4

About 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 109090742) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID109090742
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16(2)17-7-9-19(10-8-17)24-21(26)18-11-12-23-20(15-18)22(27)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26)
InChIKeyLBZCPETZPONIPZ-UHFFFAOYSA-N
XLogP4.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (CID 109090742) is 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is CC(C)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is LBZCPETZPONIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)17-7-9-19(10-8-17)24-21(26)18-11-12-23-20(15-18)22(27)25-13-5-3-4-6-14-25/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).