[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine

C22H19N3 — CID 173108160

IUPAC[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
SMILESCc1ccc(-c2nc3ccnc(CN)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-15-7-9-17(10-8-15)22-18(16-5-3-2-4-6-16)13-19-20(25-22)11-12-24-21(19)14-23/h2-13H,14,23H2,1H3
InChIKeyGJTKTUPNIMXWRF-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.73
Rot. Bonds3

About [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine

[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine (PubChem CID 173108160) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
PubChem CID173108160
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
SMILESCc1ccc(-c2nc3ccnc(CN)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H19N3/c1-15-7-9-17(10-8-15)22-18(16-5-3-2-4-6-16)13-19-20(25-22)11-12-24-21(19)14-23/h2-13H,14,23H2,1H3
InChIKeyGJTKTUPNIMXWRF-UHFFFAOYSA-N
XLogP4.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113
3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
CID 58524325
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
CID 173037998

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine (CID 173108160) is [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine is Cc1ccc(-c2nc3ccnc(CN)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine?
The InChIKey is GJTKTUPNIMXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-15-7-9-17(10-8-15)22-18(16-5-3-2-4-6-16)13-19-20(25-22)11-12-24-21(19)14-23/h2-13H,14,23H2,1H3.
What are the key properties of [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine?
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine has a molecular weight of 325.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine is sourced from PubChem (CID 173108160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).