3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide

C29H24N4O2 — CID 58524283

IUPAC3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1
InChIInChI=1S/C29H24N4O2/c1-31-28(34)22-9-5-8-21(14-22)25-17-32-29(35)24-15-23(19-6-3-2-4-7-19)26(33-27(24)25)20-12-10-18(16-30)11-13-20/h2-15,17H,16,30H2,1H3,(H,31,34)(H,32,35)
InChIKeyPMDXAQHYSCZKKA-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.74
Rot. Bonds5

About 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide

3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide (PubChem CID 58524283) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
PubChem CID58524283
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1
InChIInChI=1S/C29H24N4O2/c1-31-28(34)22-9-5-8-21(14-22)25-17-32-29(35)24-15-23(19-6-3-2-4-7-19)26(33-27(24)25)20-12-10-18(16-30)11-13-20/h2-15,17H,16,30H2,1H3,(H,31,34)(H,32,35)
InChIKeyPMDXAQHYSCZKKA-UHFFFAOYSA-N
XLogP4.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide (CID 58524283) is 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1.
What is the InChIKey of 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide?
The InChIKey is PMDXAQHYSCZKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-31-28(34)22-9-5-8-21(14-22)25-17-32-29(35)24-15-23(19-6-3-2-4-7-19)26(33-27(24)25)20-12-10-18(16-30)11-13-20/h2-15,17H,16,30H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide?
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide has a molecular weight of 460.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide is sourced from PubChem (CID 58524283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).