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

C14H16N4O2 — CID 91632637

IUPAC1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C14H16N4O2/c1-18-6-2-3-12(18)14(20)15-10-4-5-11-9(7-10)8-13(19)17-16-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyUJQSZOJUMDCXOW-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.40
Rot. Bonds2

About 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide

1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide (PubChem CID 91632637) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
PubChem CID91632637
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C14H16N4O2/c1-18-6-2-3-12(18)14(20)15-10-4-5-11-9(7-10)8-13(19)17-16-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyUJQSZOJUMDCXOW-UHFFFAOYSA-N
XLogP0.40
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide (CID 91632637) is 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide?
The InChIKey is UJQSZOJUMDCXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-6-2-3-12(18)14(20)15-10-4-5-11-9(7-10)8-13(19)17-16-11/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,20)(H,17,19).
What are the key properties of 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide?
1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 91632637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).