N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide

C13H17N3O2 — CID 163958588

IUPACN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide
SMILESCn1nc2c(cc1=O)CC(NC(=O)C1CC1)CC2
InChIInChI=1S/C13H17N3O2/c1-16-12(17)7-9-6-10(4-5-11(9)15-16)14-13(18)8-2-3-8/h7-8,10H,2-6H2,1H3,(H,14,18)
InChIKeySFNUUQARFBRFLC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.16
Rot. Bonds2

About N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide

N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide (PubChem CID 163958588) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide
PubChem CID163958588
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide
SMILESCn1nc2c(cc1=O)CC(NC(=O)C1CC1)CC2
InChIInChI=1S/C13H17N3O2/c1-16-12(17)7-9-6-10(4-5-11(9)15-16)14-13(18)8-2-3-8/h7-8,10H,2-6H2,1H3,(H,14,18)
InChIKeySFNUUQARFBRFLC-UHFFFAOYSA-N
XLogP0.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide 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 N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide (CID 163958588) is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide is Cn1nc2c(cc1=O)CC(NC(=O)C1CC1)CC2.
What is the InChIKey of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide?
The InChIKey is SFNUUQARFBRFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-12(17)7-9-6-10(4-5-11(9)15-16)14-13(18)8-2-3-8/h7-8,10H,2-6H2,1H3,(H,14,18).
What are the key properties of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide?
N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 163958588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).