1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one

C15H23N3O — CID 79232942

IUPAC1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(N)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17)
InChIKeyIKLQGCKAYPRDKO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds4

About 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one

1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one (PubChem CID 79232942) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
PubChem CID79232942
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(Cc2cccc(N)n2)CC1
InChIInChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17)
InChIKeyIKLQGCKAYPRDKO-UHFFFAOYSA-N
XLogP2.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The IUPAC name of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one (CID 79232942) is 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one is CCCC1CCC(=O)N(Cc2cccc(N)n2)CC1.
What is the InChIKey of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
The InChIKey is IKLQGCKAYPRDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-4-12-7-8-15(19)18(10-9-12)11-13-5-3-6-14(16)17-13/h3,5-6,12H,2,4,7-11H2,1H3,(H2,16,17).
What are the key properties of 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one?
1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-pyridinyl)methyl]-5-propylazepan-2-one is sourced from PubChem (CID 79232942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).