7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one

C10H13N3O — CID 130314087

IUPAC7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
SMILESCN1C(=O)C(N)CCc2cccnc21
InChIInChI=1S/C10H13N3O/c1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14/h2-3,6,8H,4-5,11H2,1H3
InChIKeyRZWDQLMDZROJRR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.32
Rot. Bonds

About 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one

7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one (PubChem CID 130314087) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one.

Molecular Properties

Compound Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
PubChem CID130314087
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
SMILESCN1C(=O)C(N)CCc2cccnc21
InChIInChI=1S/C10H13N3O/c1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14/h2-3,6,8H,4-5,11H2,1H3
InChIKeyRZWDQLMDZROJRR-UHFFFAOYSA-N
XLogP0.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one?
The IUPAC name of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one (CID 130314087) is 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one.
What is the SMILES notation for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one?
The canonical SMILES for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one is CN1C(=O)C(N)CCc2cccnc21.
What is the InChIKey of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one?
The InChIKey is RZWDQLMDZROJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-9-7(3-2-6-12-9)4-5-8(11)10(13)14/h2-3,6,8H,4-5,11H2,1H3.
What are the key properties of 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one?
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one has a molecular weight of 191.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one is sourced from PubChem (CID 130314087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).