N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide

C20H19N5O2 — CID 86864871

IUPACN-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H19N5O2/c21-9-4-11-24(15-16-5-3-10-22-13-16)20(27)8-12-25-18-7-2-1-6-17(18)19(26)14-23-25/h1-3,5-7,10,13-14H,4,8,11-12,15H2
InChIKeyNLJXITGAONUAAJ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.12
Rot. Bonds7

About N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide

N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 86864871) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID86864871
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H19N5O2/c21-9-4-11-24(15-16-5-3-10-22-13-16)20(27)8-12-25-18-7-2-1-6-17(18)19(26)14-23-25/h1-3,5-7,10,13-14H,4,8,11-12,15H2
InChIKeyNLJXITGAONUAAJ-UHFFFAOYSA-N
XLogP2.12
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 99161117
N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47084127
N-(2-cyanoethyl)-3-phenothiazin-10-yl-N-(pyridin-3-ylmethyl)propanamide
CID 134013361
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55982590
3-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78800494
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-(1-aminocyclobutyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 79852125
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 78803583
4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 42734661
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 86864871) is N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide is N#CCCN(Cc1cccnc1)C(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NLJXITGAONUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-9-4-11-24(15-16-5-3-10-22-13-16)20(27)8-12-25-18-7-2-1-6-17(18)19(26)14-23-25/h1-3,5-7,10,13-14H,4,8,11-12,15H2.
What are the key properties of N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 361.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 86864871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).