3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one

C15H21N3O — CID 134458858

IUPAC3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one
SMILESC=C1C=C2C(=CN1CC1CC1)CCC(N)C(=O)N2C
InChIInChI=1S/C15H21N3O/c1-10-7-14-12(9-18(10)8-11-3-4-11)5-6-13(16)15(19)17(14)2/h7,9,11,13H,1,3-6,8,16H2,2H3
InChIKeyHGXDAMYQAYNVFY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.57
Rot. Bonds2

About 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one

3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one (PubChem CID 134458858) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one.

Molecular Properties

Compound Name3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one
PubChem CID134458858
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one
SMILESC=C1C=C2C(=CN1CC1CC1)CCC(N)C(=O)N2C
InChIInChI=1S/C15H21N3O/c1-10-7-14-12(9-18(10)8-11-3-4-11)5-6-13(16)15(19)17(14)2/h7,9,11,13H,1,3-6,8,16H2,2H3
InChIKeyHGXDAMYQAYNVFY-UHFFFAOYSA-N
XLogP1.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134458706
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CID 134458719
CID 134458719
CID 134458722
CID 134458722
CID 134458833
CID 134458833
CID 134458834
CID 134458834
CID 134458852
CID 134458852
CID 134458860
CID 134458860
CID 134458884
CID 134458884
CID 134459272
CID 134459272

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one?
The IUPAC name of 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one (CID 134458858) is 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one.
What is the SMILES notation for 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one?
The canonical SMILES for 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one is C=C1C=C2C(=CN1CC1CC1)CCC(N)C(=O)N2C.
What is the InChIKey of 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one?
The InChIKey is HGXDAMYQAYNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-7-14-12(9-18(10)8-11-3-4-11)5-6-13(16)15(19)17(14)2/h7,9,11,13H,1,3-6,8,16H2,2H3.
What are the key properties of 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one?
3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(cyclopropylmethyl)-1-methyl-8-methylidene-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one is sourced from PubChem (CID 134458858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).