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

C12H17N3O — CID 24959266

IUPACN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)CCNCC2
InChIInChI=1S/C12H17N3O/c1-15(2)12(16)11-4-3-9-5-7-13-8-6-10(9)14-11/h3-4,13H,5-8H2,1-2H3
InChIKeyXXIMUVQPASIZHM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.47
Rot. Bonds1

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

N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide (PubChem CID 24959266) 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[2,3-d]azepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide
PubChem CID24959266
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide
SMILESCN(C)C(=O)c1ccc2c(n1)CCNCC2
InChIInChI=1S/C12H17N3O/c1-15(2)12(16)11-4-3-9-5-7-13-8-6-10(9)14-11/h3-4,13H,5-8H2,1-2H3
InChIKeyXXIMUVQPASIZHM-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide (CID 24959266) is N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide is CN(C)C(=O)c1ccc2c(n1)CCNCC2.
What is the InChIKey of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide?
The InChIKey is XXIMUVQPASIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)12(16)11-4-3-9-5-7-13-8-6-10(9)14-11/h3-4,13H,5-8H2,1-2H3.
What are the key properties of N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide?
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.47, 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[2,3-d]azepine-2-carboxamide is sourced from PubChem (CID 24959266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).