3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine

C16H15N3 — CID 23467656

IUPAC3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine
SMILESCc1ccc(Cc2cc3ccncc3c(N)n2)cc1
InChIInChI=1S/C16H15N3/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-18-10-15(13)16(17)19-14/h2-7,9-10H,8H2,1H3,(H2,17,19)
InChIKeyQRYFUGLETIMHSD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.11
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine

3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine (PubChem CID 23467656) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine
PubChem CID23467656
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine
SMILESCc1ccc(Cc2cc3ccncc3c(N)n2)cc1
InChIInChI=1S/C16H15N3/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-18-10-15(13)16(17)19-14/h2-7,9-10H,8H2,1H3,(H2,17,19)
InChIKeyQRYFUGLETIMHSD-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methyl]-2,7-naphthyridin-1-amine
CID 23467752
3-[(2-methylphenyl)methyl]-2,6-naphthyridin-1-amine
CID 23467640
6,8-dimethylisoquinoline;ethane
CID 143881412
3-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-1-amine
CID 175828772
3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
CID 126637553
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
8-ethyl-6-methylisoquinoline
CID 130267098
8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373
2,9-phenanthroline
CID 23271029
6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
CID 167020685
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
N,N-dimethyl-1-(1-propan-2-yl-2,7-naphthyridin-3-yl)methanamine
CID 170588203

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine (CID 23467656) is 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine is Cc1ccc(Cc2cc3ccncc3c(N)n2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine?
The InChIKey is QRYFUGLETIMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-18-10-15(13)16(17)19-14/h2-7,9-10H,8H2,1H3,(H2,17,19).
What are the key properties of 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine?
3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 23467656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).