4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline

C29H26N4 — CID 58524482

IUPAC4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
SMILESNCc1ccc(-c2nc3ccnc(CCc4ccc(N)cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H26N4/c30-19-21-6-11-23(12-7-21)29-25(22-4-2-1-3-5-22)18-26-27(32-17-16-28(26)33-29)15-10-20-8-13-24(31)14-9-20/h1-9,11-14,16-18H,10,15,19,30-31H2
InChIKeyLUDLJNMLMXCSEE-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.79
Rot. Bonds6

About 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline

4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline (PubChem CID 58524482) has the molecular formula C29H26N4 and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
PubChem CID58524482
Molecular FormulaC29H26N4
Molecular Weight430.56 g/mol
Exact Mass430.22
IUPAC Name4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
SMILESNCc1ccc(-c2nc3ccnc(CCc4ccc(N)cc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H26N4/c30-19-21-6-11-23(12-7-21)29-25(22-4-2-1-3-5-22)18-26-27(32-17-16-28(26)33-29)15-10-20-8-13-24(31)14-9-20/h1-9,11-14,16-18H,10,15,19,30-31H2
InChIKeyLUDLJNMLMXCSEE-UHFFFAOYSA-N
XLogP5.79
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline?
The IUPAC name of 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline (CID 58524482) is 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline?
The canonical SMILES for 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline is NCc1ccc(-c2nc3ccnc(CCc4ccc(N)cc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline?
The InChIKey is LUDLJNMLMXCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4/c30-19-21-6-11-23(12-7-21)29-25(22-4-2-1-3-5-22)18-26-27(32-17-16-28(26)33-29)15-10-20-8-13-24(31)14-9-20/h1-9,11-14,16-18H,10,15,19,30-31H2.
What are the key properties of 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline?
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline has a molecular weight of 430.56 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline is sourced from PubChem (CID 58524482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).