3-methylcinnoline-6-carboxamide

C10H9N3O — CID 175807286

IUPAC3-methylcinnoline-6-carboxamide
SMILESCc1cc2cc(C(N)=O)ccc2nn1
InChIInChI=1S/C10H9N3O/c1-6-4-8-5-7(10(11)14)2-3-9(8)13-12-6/h2-5H,1H3,(H2,11,14)
InChIKeyRHWAYKIMHMIBCX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.04
Rot. Bonds1

About 3-methylcinnoline-6-carboxamide

3-methylcinnoline-6-carboxamide (PubChem CID 175807286) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methylcinnoline-6-carboxamide.

Molecular Properties

Compound Name3-methylcinnoline-6-carboxamide
PubChem CID175807286
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-methylcinnoline-6-carboxamide
SMILESCc1cc2cc(C(N)=O)ccc2nn1
InChIInChI=1S/C10H9N3O/c1-6-4-8-5-7(10(11)14)2-3-9(8)13-12-6/h2-5H,1H3,(H2,11,14)
InChIKeyRHWAYKIMHMIBCX-UHFFFAOYSA-N
XLogP1.04
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylquinoxaline-6-carboxamide
CID 89421881
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
5-methylnaphthalene-2-carboxamide
CID 89351493
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
2-ethylindazole-5-carboxamide
CID 142796121
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
2-methyl-4-(2-phenylphenyl)quinoline-6-carboxamide
CID 167445709
2-(oxan-4-yl)quinoline-3,6-dicarboxamide
CID 143021884
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
1,2,3-benzoxadiazole-6-carboxamide
CID 151372469

Frequently Asked Questions

What is the IUPAC name of 3-methylcinnoline-6-carboxamide?
The IUPAC name of 3-methylcinnoline-6-carboxamide (CID 175807286) is 3-methylcinnoline-6-carboxamide.
What is the SMILES notation for 3-methylcinnoline-6-carboxamide?
The canonical SMILES for 3-methylcinnoline-6-carboxamide is Cc1cc2cc(C(N)=O)ccc2nn1.
What is the InChIKey of 3-methylcinnoline-6-carboxamide?
The InChIKey is RHWAYKIMHMIBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-6-4-8-5-7(10(11)14)2-3-9(8)13-12-6/h2-5H,1H3,(H2,11,14).
What are the key properties of 3-methylcinnoline-6-carboxamide?
3-methylcinnoline-6-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcinnoline-6-carboxamide is sourced from PubChem (CID 175807286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).