4-(pentylamino)-1H-1,8-naphthyridin-2-one

C13H17N3O — CID 70533631

IUPAC4-(pentylamino)-1H-1,8-naphthyridin-2-one
SMILESCCCCCNc1cc(=O)[nH]c2ncccc12
InChIInChI=1S/C13H17N3O/c1-2-3-4-7-14-11-9-12(17)16-13-10(11)6-5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyOHMCIFVVGUMBLZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.53
Rot. Bonds5

About 4-(pentylamino)-1H-1,8-naphthyridin-2-one

4-(pentylamino)-1H-1,8-naphthyridin-2-one (PubChem CID 70533631) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(pentylamino)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-(pentylamino)-1H-1,8-naphthyridin-2-one
PubChem CID70533631
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(pentylamino)-1H-1,8-naphthyridin-2-one
SMILESCCCCCNc1cc(=O)[nH]c2ncccc12
InChIInChI=1S/C13H17N3O/c1-2-3-4-7-14-11-9-12(17)16-13-10(11)6-5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,16,17)
InChIKeyOHMCIFVVGUMBLZ-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(pentylamino)-1H-1,8-naphthyridin-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

Related Compounds

4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one
CID 166383100
2-bromo-N-pentylpyridin-3-amine
CID 88814302
8-chloro-N-heptylquinolin-5-amine
CID 43731731
N-pentyl-2-pyrazol-1-ylpyridin-3-amine
CID 43736889
6-chloro-N-pentylquinolin-8-amine
CID 43672340
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
6-chloro-N-hexylquinolin-8-amine
CID 43672362
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
2-ethoxy-N-octylpyridin-3-amine
CID 43706171
N-heptylquinolin-8-amine
CID 43130175
4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one
CID 154877303
2-methyl-1H-1,8-naphthyridin-4-one;propane
CID 142119860

Frequently Asked Questions

What is the IUPAC name of 4-(pentylamino)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-(pentylamino)-1H-1,8-naphthyridin-2-one (CID 70533631) is 4-(pentylamino)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-(pentylamino)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-(pentylamino)-1H-1,8-naphthyridin-2-one is CCCCCNc1cc(=O)[nH]c2ncccc12.
What is the InChIKey of 4-(pentylamino)-1H-1,8-naphthyridin-2-one?
The InChIKey is OHMCIFVVGUMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-4-7-14-11-9-12(17)16-13-10(11)6-5-8-15-13/h5-6,8-9H,2-4,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(pentylamino)-1H-1,8-naphthyridin-2-one?
4-(pentylamino)-1H-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 70533631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).