N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C25H22ClN3O — CID 71462027

IUPACN-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)
InChIKeyWQQRCIURTFHROP-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.59
Rot. Bonds7

About N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71462027) has the molecular formula C25H22ClN3O and a molecular weight of 415.92 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71462027
Molecular FormulaC25H22ClN3O
Molecular Weight415.92 g/mol
Exact Mass415.15
IUPAC NameN-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)
InChIKeyWQQRCIURTFHROP-UHFFFAOYSA-N
XLogP5.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide 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 N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71462027) is N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is WQQRCIURTFHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30).
What are the key properties of N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 415.92 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71462027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).