2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide

C12H17N3O2 — CID 166979455

IUPAC2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
SMILESCC(C)C(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C12H17N3O2/c1-7(2)12(17)13-9-3-4-10-8(5-9)6-11(16)15-14-10/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMUAUKFGTYGTPGL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide

2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide (PubChem CID 166979455) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
PubChem CID166979455
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
SMILESCC(C)C(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C12H17N3O2/c1-7(2)12(17)13-9-3-4-10-8(5-9)6-11(16)15-14-10/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMUAUKFGTYGTPGL-UHFFFAOYSA-N
XLogP0.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide (CID 166979455) is 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide is CC(C)C(=O)NC1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The InChIKey is MUAUKFGTYGTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)12(17)13-9-3-4-10-8(5-9)6-11(16)15-14-10/h6-7,9H,3-5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide is sourced from PubChem (CID 166979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).