N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide

C12H17N3O2 — CID 97406170

IUPACN,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide
SMILESCN(C)C(=O)N1CCc2ccc(=O)[nH]c2CC1
InChIInChI=1S/C12H17N3O2/c1-14(2)12(17)15-7-5-9-3-4-11(16)13-10(9)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,16)
InChIKeyHEJNXDXEOVTLNB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.46
Rot. Bonds

About N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide

N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide (PubChem CID 97406170) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide
PubChem CID97406170
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide
SMILESCN(C)C(=O)N1CCc2ccc(=O)[nH]c2CC1
InChIInChI=1S/C12H17N3O2/c1-14(2)12(17)15-7-5-9-3-4-11(16)13-10(9)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,16)
InChIKeyHEJNXDXEOVTLNB-UHFFFAOYSA-N
XLogP0.46
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide (CID 97406170) is N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide is CN(C)C(=O)N1CCc2ccc(=O)[nH]c2CC1.
What is the InChIKey of N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide?
The InChIKey is HEJNXDXEOVTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14(2)12(17)15-7-5-9-3-4-11(16)13-10(9)6-8-15/h3-4H,5-8H2,1-2H3,(H,13,16).
What are the key properties of N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide?
N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxamide is sourced from PubChem (CID 97406170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).