2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide

C16H13N3O2 — CID 167952573

IUPAC2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3c(=O)[nH]ccc23)ccn1
InChIInChI=1S/C16H13N3O2/c1-10-9-11(5-7-17-10)15(20)19-14-4-2-3-13-12(14)6-8-18-16(13)21/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyFDQSTZBYNORBLO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

About 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide

2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide (PubChem CID 167952573) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
PubChem CID167952573
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3c(=O)[nH]ccc23)ccn1
InChIInChI=1S/C16H13N3O2/c1-10-9-11(5-7-17-10)15(20)19-14-4-2-3-13-12(14)6-8-18-16(13)21/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyFDQSTZBYNORBLO-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

4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
N-(2-bromo-3-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106753102
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 175432623
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
CID 156577127
2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzoic acid
CID 106752492
2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 826917
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide (CID 167952573) is 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc3c(=O)[nH]ccc23)ccn1.
What is the InChIKey of 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide?
The InChIKey is FDQSTZBYNORBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-9-11(5-7-17-10)15(20)19-14-4-2-3-13-12(14)6-8-18-16(13)21/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide?
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-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 2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 167952573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).