7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide

C16H13N3O2 — CID 172892515

IUPAC7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cccnc3)[nH]c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-10-4-5-11-8-14(19-15(20)13(11)7-10)16(21)18-12-3-2-6-17-9-12/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyCWRUZVQONKWHRG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

About 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide

7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide (PubChem CID 172892515) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
PubChem CID172892515
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3cccnc3)[nH]c(=O)c2c1
InChIInChI=1S/C16H13N3O2/c1-10-4-5-11-8-14(19-15(20)13(11)7-10)16(21)18-12-3-2-6-17-9-12/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyCWRUZVQONKWHRG-UHFFFAOYSA-N
XLogP2.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
N-[3-(1-methylimidazol-2-yl)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 136523152
6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 171999932
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
7-amino-N-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 170995124
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 68845952

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide?
The IUPAC name of 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide (CID 172892515) is 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide is Cc1ccc2cc(C(=O)Nc3cccnc3)[nH]c(=O)c2c1.
What is the InChIKey of 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide?
The InChIKey is CWRUZVQONKWHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-4-5-11-8-14(19-15(20)13(11)7-10)16(21)18-12-3-2-6-17-9-12/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide?
7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 172892515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).