N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide

C21H23N3O3 — CID 109090775

IUPACN-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C21H23N3O3/c1-15(25)16-7-6-8-18(13-16)23-20(26)17-9-10-22-19(14-17)21(27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26)
InChIKeyBBXGGHRQKYMKDD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.55
Rot. Bonds4

About N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide

N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090775) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090775
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C21H23N3O3/c1-15(25)16-7-6-8-18(13-16)23-20(26)17-9-10-22-19(14-17)21(27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26)
InChIKeyBBXGGHRQKYMKDD-UHFFFAOYSA-N
XLogP3.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide (CID 109090775) is N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(C(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is BBXGGHRQKYMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(25)16-7-6-8-18(13-16)23-20(26)17-9-10-22-19(14-17)21(27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide?
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).