N-(7-chloro-1,8-naphthyridin-2-yl)butanamide

C12H12ClN3O — CID 102404571

IUPACN-(7-chloro-1,8-naphthyridin-2-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C12H12ClN3O/c1-2-3-11(17)15-10-7-5-8-4-6-9(13)14-12(8)16-10/h4-7H,2-3H2,1H3,(H,14,15,16,17)
InChIKeyGOHSZPQYJLJYRF-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.02
Rot. Bonds3

About N-(7-chloro-1,8-naphthyridin-2-yl)butanamide

N-(7-chloro-1,8-naphthyridin-2-yl)butanamide (PubChem CID 102404571) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(7-chloro-1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-(7-chloro-1,8-naphthyridin-2-yl)butanamide
PubChem CID102404571
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(7-chloro-1,8-naphthyridin-2-yl)butanamide
SMILESCCCC(=O)Nc1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C12H12ClN3O/c1-2-3-11(17)15-10-7-5-8-4-6-9(13)14-12(8)16-10/h4-7H,2-3H2,1H3,(H,14,15,16,17)
InChIKeyGOHSZPQYJLJYRF-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-(7-chloro-1,8-naphthyridin-2-yl)butanamide (CID 102404571) is N-(7-chloro-1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-(7-chloro-1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-(7-chloro-1,8-naphthyridin-2-yl)butanamide is CCCC(=O)Nc1ccc2ccc(Cl)nc2n1.
What is the InChIKey of N-(7-chloro-1,8-naphthyridin-2-yl)butanamide?
The InChIKey is GOHSZPQYJLJYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-2-3-11(17)15-10-7-5-8-4-6-9(13)14-12(8)16-10/h4-7H,2-3H2,1H3,(H,14,15,16,17).
What are the key properties of N-(7-chloro-1,8-naphthyridin-2-yl)butanamide?
N-(7-chloro-1,8-naphthyridin-2-yl)butanamide has a molecular weight of 249.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 102404571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).