1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

C11H13N3 — CID 177024453

IUPAC1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESCc1nc(C)c2c(c1C#N)CCNC2
InChIInChI=1S/C11H13N3/c1-7-10(5-12)9-3-4-13-6-11(9)8(2)14-7/h13H,3-4,6H2,1-2H3
InChIKeyRGXLZKIZCGLLIZ-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.22
Rot. Bonds

About 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (PubChem CID 177024453) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
PubChem CID177024453
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESCc1nc(C)c2c(c1C#N)CCNC2
InChIInChI=1S/C11H13N3/c1-7-10(5-12)9-3-4-13-6-11(9)8(2)14-7/h13H,3-4,6H2,1-2H3
InChIKeyRGXLZKIZCGLLIZ-UHFFFAOYSA-N
XLogP1.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (CID 177024453) is 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is Cc1nc(C)c2c(c1C#N)CCNC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The InChIKey is RGXLZKIZCGLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-10(5-12)9-3-4-13-6-11(9)8(2)14-7/h13H,3-4,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 177024453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).