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

C26H25N3O — CID 53358900

IUPACN-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H25N3O/c1-19-5-2-6-23(17-19)21-12-10-20(11-13-21)18-28-25(30)9-3-8-24-15-14-22-7-4-16-27-26(22)29-24/h2,4-7,10-17H,3,8-9,18H2,1H3,(H,28,30)
InChIKeyPPGSCVIDQKFZTG-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.24
Rot. Bonds7

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

N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 53358900) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID53358900
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESCc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1
InChIInChI=1S/C26H25N3O/c1-19-5-2-6-23(17-19)21-12-10-20(11-13-21)18-28-25(30)9-3-8-24-15-14-22-7-4-16-27-26(22)29-24/h2,4-7,10-17H,3,8-9,18H2,1H3,(H,28,30)
InChIKeyPPGSCVIDQKFZTG-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 53358900) is N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is Cc1cccc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)c1.
What is the InChIKey of N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is PPGSCVIDQKFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-19-5-2-6-23(17-19)21-12-10-20(11-13-21)18-28-25(30)9-3-8-24-15-14-22-7-4-16-27-26(22)29-24/h2,4-7,10-17H,3,8-9,18H2,1H3,(H,28,30).
What are the key properties of N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 395.51 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 53358900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).