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

C23H29N3O3 — CID 91904568

IUPAC2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C23H29N3O3/c1-2-25(15-17-9-11-24-12-10-17)23(28)22-19-6-4-3-5-13-26(19)21(27)14-20(22)29-16-18-7-8-18/h9-12,14,18H,2-8,13,15-16H2,1H3
InChIKeyAFTDPIGLBAGXCW-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.42
Rot. Bonds7

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

2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (PubChem CID 91904568) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
PubChem CID91904568
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2
InChIInChI=1S/C23H29N3O3/c1-2-25(15-17-9-11-24-12-10-17)23(28)22-19-6-4-3-5-13-26(19)21(27)14-20(22)29-16-18-7-8-18/h9-12,14,18H,2-8,13,15-16H2,1H3
InChIKeyAFTDPIGLBAGXCW-UHFFFAOYSA-N
XLogP3.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-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-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (CID 91904568) is 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is CCN(Cc1ccncc1)C(=O)c1c(OCC2CC2)cc(=O)n2c1CCCCC2.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The InChIKey is AFTDPIGLBAGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-25(15-17-9-11-24-12-10-17)23(28)22-19-6-4-3-5-13-26(19)21(27)14-20(22)29-16-18-7-8-18/h9-12,14,18H,2-8,13,15-16H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is sourced from PubChem (CID 91904568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).