5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine

C16H19N3 — CID 155569472

IUPAC5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine
SMILESCc1cccc(-c2nc(N)cc3c2CCCN3)c1C
InChIInChI=1S/C16H19N3/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-18-14(13)9-15(17)19-16/h3,5-6,9,18H,4,7-8H2,1-2H3,(H2,17,19)
InChIKeyDWOVZSYDAWWAOC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.31
Rot. Bonds1

About 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine

5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine (PubChem CID 155569472) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine
PubChem CID155569472
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine
SMILESCc1cccc(-c2nc(N)cc3c2CCCN3)c1C
InChIInChI=1S/C16H19N3/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-18-14(13)9-15(17)19-16/h3,5-6,9,18H,4,7-8H2,1-2H3,(H2,17,19)
InChIKeyDWOVZSYDAWWAOC-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine (CID 155569472) is 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine is Cc1cccc(-c2nc(N)cc3c2CCCN3)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine?
The InChIKey is DWOVZSYDAWWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-18-14(13)9-15(17)19-16/h3,5-6,9,18H,4,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine?
5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine has a molecular weight of 253.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-amine is sourced from PubChem (CID 155569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).