6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C20H18N4O2 — CID 91625132

IUPAC6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(CC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c1-23-11-14(16-4-2-3-5-18(16)23)9-19(25)24-7-6-17-15(12-24)8-13(10-21)20(26)22-17/h2-5,8,11H,6-7,9,12H2,1H3,(H,22,26)
InChIKeyPSNXQAKIRUJWJB-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.87
Rot. Bonds2

About 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 91625132) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID91625132
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(CC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)c2ccccc21
InChIInChI=1S/C20H18N4O2/c1-23-11-14(16-4-2-3-5-18(16)23)9-19(25)24-7-6-17-15(12-24)8-13(10-21)20(26)22-17/h2-5,8,11H,6-7,9,12H2,1H3,(H,22,26)
InChIKeyPSNXQAKIRUJWJB-UHFFFAOYSA-N
XLogP1.87
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-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 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 91625132) is 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is Cn1cc(CC(=O)N2CCc3[nH]c(=O)c(C#N)cc3C2)c2ccccc21.
What is the InChIKey of 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is PSNXQAKIRUJWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23-11-14(16-4-2-3-5-18(16)23)9-19(25)24-7-6-17-15(12-24)8-13(10-21)20(26)22-17/h2-5,8,11H,6-7,9,12H2,1H3,(H,22,26).
What are the key properties of 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylindol-3-yl)acetyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 91625132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).