3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine

C25H26N4O — CID 167511483

IUPAC3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
SMILESCCN(Cc1ccc(OC)cc1)c1cc2ncc(-c3cc(N)ccc3C)cc2cn1
InChIInChI=1S/C25H26N4O/c1-4-29(16-18-6-9-22(30-3)10-7-18)25-13-24-20(15-28-25)11-19(14-27-24)23-12-21(26)8-5-17(23)2/h5-15H,4,16,26H2,1-3H3
InChIKeyRVUXSQHCBYFOLG-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.22
Rot. Bonds6

About 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine

3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine (PubChem CID 167511483) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
PubChem CID167511483
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
SMILESCCN(Cc1ccc(OC)cc1)c1cc2ncc(-c3cc(N)ccc3C)cc2cn1
InChIInChI=1S/C25H26N4O/c1-4-29(16-18-6-9-22(30-3)10-7-18)25-13-24-20(15-28-25)11-19(14-27-24)23-12-21(26)8-5-17(23)2/h5-15H,4,16,26H2,1-3H3
InChIKeyRVUXSQHCBYFOLG-UHFFFAOYSA-N
XLogP5.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The IUPAC name of 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine (CID 167511483) is 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine is CCN(Cc1ccc(OC)cc1)c1cc2ncc(-c3cc(N)ccc3C)cc2cn1.
What is the InChIKey of 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
The InChIKey is RVUXSQHCBYFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-4-29(16-18-6-9-22(30-3)10-7-18)25-13-24-20(15-28-25)11-19(14-27-24)23-12-21(26)8-5-17(23)2/h5-15H,4,16,26H2,1-3H3.
What are the key properties of 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine?
3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine has a molecular weight of 398.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine is sourced from PubChem (CID 167511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).