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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Related Compounds

[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
CID 58524325
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
CID 173037998
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113
[2-[3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]propoxy]phenyl]methanol;2,2,2-trifluoroacetic acid
CID 171929561
2-[4-(aminomethyl)phenyl]-N'-hydroxy-3-phenyl-1,6-naphthyridine-5-carboximidamide;hydrochloride
CID 173038122
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082

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).