N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide

C19H21N3O2 — CID 17199064

IUPACN-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H21N3O2/c23-18(15-9-11-20-12-10-15)21-17-7-5-16(6-8-17)19(24)22-13-3-1-2-4-14-22/h5-12H,1-4,13-14H2,(H,21,23)
InChIKeyMASWKHAKNWSIIZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds3

About N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide

N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide (PubChem CID 17199064) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
PubChem CID17199064
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccncc1
InChIInChI=1S/C19H21N3O2/c23-18(15-9-11-20-12-10-15)21-17-7-5-16(6-8-17)19(24)22-13-3-1-2-4-14-22/h5-12H,1-4,13-14H2,(H,21,23)
InChIKeyMASWKHAKNWSIIZ-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide (CID 17199064) is N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide?
The InChIKey is MASWKHAKNWSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(15-9-11-20-12-10-15)21-17-7-5-16(6-8-17)19(24)22-13-3-1-2-4-14-22/h5-12H,1-4,13-14H2,(H,21,23).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide?
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17199064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).