N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide

C12H17N3O — CID 170622526

IUPACN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)CCCNC2
InChIInChI=1S/C12H17N3O/c1-15(2)12(16)11-6-5-9-8-13-7-3-4-10(9)14-11/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyWTXDXGFFKQJJPL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.82
Rot. Bonds1

About N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide

N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide (PubChem CID 170622526) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide
PubChem CID170622526
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)CCCNC2
InChIInChI=1S/C12H17N3O/c1-15(2)12(16)11-6-5-9-8-13-7-3-4-10(9)14-11/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyWTXDXGFFKQJJPL-UHFFFAOYSA-N
XLogP0.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-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

CID 31447
CID 31447
CID 132185545
CID 132185545
CID 132186011
CID 132186011
CID 2542487
CID 2542487
CID 43398194
CID 43398194
CID 14783879
CID 14783879
CID 6095594
CID 6095594
CID 2986253
CID 2986253
CID 2986306
CID 2986306
CID 2986667
CID 2986667
CID 2986895
CID 2986895
CID 2988504
CID 2988504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide (CID 170622526) is N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide is CN(C)C(=O)c1ccc2c(n1)CCCNC2.
What is the InChIKey of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide?
The InChIKey is WTXDXGFFKQJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)12(16)11-6-5-9-8-13-7-3-4-10(9)14-11/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide?
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide is sourced from PubChem (CID 170622526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).