2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide

C23H20N4O — CID 53251563

IUPAC2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H20N4O/c1-25-23(28)22-19-13-18(16-5-3-2-4-6-16)21(27-20(19)11-12-26-22)17-9-7-15(14-24)8-10-17/h2-13H,14,24H2,1H3,(H,25,28)
InChIKeyIATHYDUJWHSPSV-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.78
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide

2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide (PubChem CID 53251563) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
PubChem CID53251563
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C23H20N4O/c1-25-23(28)22-19-13-18(16-5-3-2-4-6-16)21(27-20(19)11-12-26-22)17-9-7-15(14-24)8-10-17/h2-13H,14,24H2,1H3,(H,25,28)
InChIKeyIATHYDUJWHSPSV-UHFFFAOYSA-N
XLogP3.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide (CID 53251563) is 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide is CNC(=O)c1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide?
The InChIKey is IATHYDUJWHSPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-25-23(28)22-19-13-18(16-5-3-2-4-6-16)21(27-20(19)11-12-26-22)17-9-7-15(14-24)8-10-17/h2-13H,14,24H2,1H3,(H,25,28).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide?
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 53251563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).