2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

C22H27N3O3 — CID 91914341

IUPAC2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C22H27N3O3/c1-24(14-17-6-5-10-23-13-17)22(27)21-18-7-3-2-4-11-25(18)20(26)12-19(21)28-15-16-8-9-16/h5-6,10,12-13,16H,2-4,7-9,11,14-15H2,1H3
InChIKeyHCZHZFYGZXGIJG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.03
Rot. Bonds6

About 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (PubChem CID 91914341) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
PubChem CID91914341
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C22H27N3O3/c1-24(14-17-6-5-10-23-13-17)22(27)21-18-7-3-2-4-11-25(18)20(26)12-19(21)28-15-16-8-9-16/h5-6,10,12-13,16H,2-4,7-9,11,14-15H2,1H3
InChIKeyHCZHZFYGZXGIJG-UHFFFAOYSA-N
XLogP3.03
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (CID 91914341) is 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is CN(Cc1cccnc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The InChIKey is HCZHZFYGZXGIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(14-17-6-5-10-23-13-17)22(27)21-18-7-3-2-4-11-25(18)20(26)12-19(21)28-15-16-8-9-16/h5-6,10,12-13,16H,2-4,7-9,11,14-15H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-methyl-4-oxo-N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is sourced from PubChem (CID 91914341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).