3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one

C11H17N3O — CID 18943505

IUPAC3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
SMILESCCN1CCc2cc(N)c(=O)[nH]c2CC1
InChIInChI=1S/C11H17N3O/c1-2-14-5-3-8-7-9(12)11(15)13-10(8)4-6-14/h7H,2-6,12H2,1H3,(H,13,15)
InChIKeyGCKOVQAXRHOPLT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.38
Rot. Bonds1

About 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one

3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one (PubChem CID 18943505) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
PubChem CID18943505
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
SMILESCCN1CCc2cc(N)c(=O)[nH]c2CC1
InChIInChI=1S/C11H17N3O/c1-2-14-5-3-8-7-9(12)11(15)13-10(8)4-6-14/h7H,2-6,12H2,1H3,(H,13,15)
InChIKeyGCKOVQAXRHOPLT-UHFFFAOYSA-N
XLogP0.38
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one?
The IUPAC name of 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one (CID 18943505) is 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one?
The canonical SMILES for 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one is CCN1CCc2cc(N)c(=O)[nH]c2CC1.
What is the InChIKey of 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one?
The InChIKey is GCKOVQAXRHOPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-5-3-8-7-9(12)11(15)13-10(8)4-6-14/h7H,2-6,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one?
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 18943505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).