N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide

C14H22N4O — CID 64563799

IUPACN-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C14H22N4O/c1-18(2)13-11(8-6-10-16-13)17-14(19)12-7-4-3-5-9-15-12/h6,8,10,12,15H,3-5,7,9H2,1-2H3,(H,17,19)
InChIKeyOBGSGCSFUGESCQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide (PubChem CID 64563799) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
PubChem CID64563799
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C14H22N4O/c1-18(2)13-11(8-6-10-16-13)17-14(19)12-7-4-3-5-9-15-12/h6,8,10,12,15H,3-5,7,9H2,1-2H3,(H,17,19)
InChIKeyOBGSGCSFUGESCQ-UHFFFAOYSA-N
XLogP1.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-3-pyridinyl]azepane-2-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

N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
N-quinolin-5-ylpiperidine-2-carboxamide
CID 18072312
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913644
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide (CID 64563799) is N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide is CN(C)c1ncccc1NC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide?
The InChIKey is OBGSGCSFUGESCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)13-11(8-6-10-16-13)17-14(19)12-7-4-3-5-9-15-12/h6,8,10,12,15H,3-5,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide is sourced from PubChem (CID 64563799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).