4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one

C21H17N3O2 — CID 52949455

IUPAC4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one
SMILESNCc1ccccc1-c1cccc(-c2cc(=O)n(O)c3ncccc23)c1
InChIInChI=1S/C21H17N3O2/c22-13-16-5-1-2-8-17(16)14-6-3-7-15(11-14)19-12-20(25)24(26)21-18(19)9-4-10-23-21/h1-12,26H,13,22H2
InChIKeyXNCQHZOIZVMEPA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.43
Rot. Bonds3

About 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one

4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one (PubChem CID 52949455) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one
PubChem CID52949455
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one
SMILESNCc1ccccc1-c1cccc(-c2cc(=O)n(O)c3ncccc23)c1
InChIInChI=1S/C21H17N3O2/c22-13-16-5-1-2-8-17(16)14-6-3-7-15(11-14)19-12-20(25)24(26)21-18(19)9-4-10-23-21/h1-12,26H,13,22H2
InChIKeyXNCQHZOIZVMEPA-UHFFFAOYSA-N
XLogP3.43
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 100472
Piketoprofen
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CID 939927
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-(5-Phenylpyridin-2-yl)benzamide
CID 24949411
N-(4-Fluorophenylethyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157663
4-{[4'-(aminomethyl)biphenyl-4-yl]methyl}-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 44180293
4-[3'-(aminomethyl)biphenyl-3-yl]-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 49769738
4-{[4'-(aminomethyl)biphenyl-3-yl]methyl}-1-hydroxy-1,8-naphthyridin-2(1H)-one
CID 49769755
1-Hydroxy-4-[[4-(4-pyridyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251612
[4-(2,2-Diphenylethyl)-2-pyridinyl]urea
CID 69675880

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one (CID 52949455) is 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one is NCc1ccccc1-c1cccc(-c2cc(=O)n(O)c3ncccc23)c1.
What is the InChIKey of 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is XNCQHZOIZVMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-13-16-5-1-2-8-17(16)14-6-3-7-15(11-14)19-12-20(25)24(26)21-18(19)9-4-10-23-21/h1-12,26H,13,22H2.
What are the key properties of 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one?
4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(aminomethyl)phenyl]phenyl]-1-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 52949455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).