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

C13H19N3O2 — CID 163508369

IUPACN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide
SMILESCCCC(=O)NC1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C13H19N3O2/c1-3-4-12(17)14-10-5-6-11-9(7-10)8-13(18)16(2)15-11/h8,10H,3-7H2,1-2H3,(H,14,17)
InChIKeyDANROWBRPCIAJW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.55
Rot. Bonds3

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

N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide (PubChem CID 163508369) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide
PubChem CID163508369
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide
SMILESCCCC(=O)NC1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C13H19N3O2/c1-3-4-12(17)14-10-5-6-11-9(7-10)8-13(18)16(2)15-11/h8,10H,3-7H2,1-2H3,(H,14,17)
InChIKeyDANROWBRPCIAJW-UHFFFAOYSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopentyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]azepin-3(5H)-one
CID 45484654
2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253327
N-[2-(6-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclopentanecarboxamide
CID 110223058
2-methyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755383
2-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755459
N-(3-Methylbutyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 47004347
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 71709367
N-Cyclohexyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465686
2-(3-Oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)-N-(propan-2-YL)acetamide
CID 75465688
N-Cyclopropyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465729
2-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253865
3,3,3-trifluoro-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 92128164

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide?
The IUPAC name of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide (CID 163508369) is N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide.
What is the SMILES notation for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide?
The canonical SMILES for N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide is CCCC(=O)NC1CCc2nn(C)c(=O)cc2C1.
What is the InChIKey of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide?
The InChIKey is DANROWBRPCIAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-12(17)14-10-5-6-11-9(7-10)8-13(18)16(2)15-11/h8,10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide?
N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide has a molecular weight of 249.31 g/mol, XLogP of 0.55, 3 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)butanamide is sourced from PubChem (CID 163508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).