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

C12H17N3O2 — CID 18943566

IUPAC7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide
SMILESCCN1CCc2cc(C(N)=O)c(=O)[nH]c2CC1
InChIInChI=1S/C12H17N3O2/c1-2-15-5-3-8-7-9(11(13)16)12(17)14-10(8)4-6-15/h7H,2-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGSYMLOVREJTABL-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.11
Rot. Bonds2

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

7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide (PubChem CID 18943566) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide
PubChem CID18943566
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide
SMILESCCN1CCc2cc(C(N)=O)c(=O)[nH]c2CC1
InChIInChI=1S/C12H17N3O2/c1-2-15-5-3-8-7-9(11(13)16)12(17)14-10(8)4-6-15/h7H,2-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyGSYMLOVREJTABL-UHFFFAOYSA-N
XLogP-0.11
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide?
The IUPAC name of 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide (CID 18943566) is 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide.
What is the SMILES notation for 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide?
The canonical SMILES for 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide is CCN1CCc2cc(C(N)=O)c(=O)[nH]c2CC1.
What is the InChIKey of 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide?
The InChIKey is GSYMLOVREJTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-15-5-3-8-7-9(11(13)16)12(17)14-10(8)4-6-15/h7H,2-6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide?
7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-3-carboxamide is sourced from PubChem (CID 18943566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).