N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide

C16H23N3O — CID 64562460

IUPACN-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
SMILESO=C(C1CCCCCN1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H23N3O/c20-16(15-4-2-1-3-9-18-15)19(14-5-6-14)12-13-7-10-17-11-8-13/h7-8,10-11,14-15,18H,1-6,9,12H2
InChIKeyINVIDVCSWVCRAC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.10
Rot. Bonds4

About N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide

N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide (PubChem CID 64562460) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
PubChem CID64562460
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
SMILESO=C(C1CCCCCN1)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C16H23N3O/c20-16(15-4-2-1-3-9-18-15)19(14-5-6-14)12-13-7-10-17-11-8-13/h7-8,10-11,14-15,18H,1-6,9,12H2
InChIKeyINVIDVCSWVCRAC-UHFFFAOYSA-N
XLogP2.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-(pyridin-4-ylmethyl)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-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
(2S)-N-cyclopropyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 93369487
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
CID 104913311
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
(2R)-N-cyclopentyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 104913327
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide (CID 64562460) is N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide is O=C(C1CCCCCN1)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide?
The InChIKey is INVIDVCSWVCRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(15-4-2-1-3-9-18-15)19(14-5-6-14)12-13-7-10-17-11-8-13/h7-8,10-11,14-15,18H,1-6,9,12H2.
What are the key properties of N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide?
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 64562460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).