N-(1-methylcyclopropyl)cinnoline-6-carboxamide

C13H13N3O — CID 118330508

IUPACN-(1-methylcyclopropyl)cinnoline-6-carboxamide
SMILESCC1(NC(=O)c2ccc3nnccc3c2)CC1
InChIInChI=1S/C13H13N3O/c1-13(5-6-13)15-12(17)10-2-3-11-9(8-10)4-7-14-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyRDURCKLSCMCTAX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.91
Rot. Bonds2

About N-(1-methylcyclopropyl)cinnoline-6-carboxamide

N-(1-methylcyclopropyl)cinnoline-6-carboxamide (PubChem CID 118330508) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)cinnoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)cinnoline-6-carboxamide
PubChem CID118330508
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(1-methylcyclopropyl)cinnoline-6-carboxamide
SMILESCC1(NC(=O)c2ccc3nnccc3c2)CC1
InChIInChI=1S/C13H13N3O/c1-13(5-6-13)15-12(17)10-2-3-11-9(8-10)4-7-14-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyRDURCKLSCMCTAX-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)cinnoline-6-carboxamide?
The IUPAC name of N-(1-methylcyclopropyl)cinnoline-6-carboxamide (CID 118330508) is N-(1-methylcyclopropyl)cinnoline-6-carboxamide.
What is the SMILES notation for N-(1-methylcyclopropyl)cinnoline-6-carboxamide?
The canonical SMILES for N-(1-methylcyclopropyl)cinnoline-6-carboxamide is CC1(NC(=O)c2ccc3nnccc3c2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)cinnoline-6-carboxamide?
The InChIKey is RDURCKLSCMCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-13(5-6-13)15-12(17)10-2-3-11-9(8-10)4-7-14-16-11/h2-4,7-8H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(1-methylcyclopropyl)cinnoline-6-carboxamide?
N-(1-methylcyclopropyl)cinnoline-6-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)cinnoline-6-carboxamide is sourced from PubChem (CID 118330508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).