6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide

C22H15F3N4O2 — CID 156577127

IUPAC6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc1-c1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C22H15F3N4O2/c1-12-18(15-3-2-4-17-16(15)6-8-27-21(17)31)9-13(11-28-12)20(30)29-14-5-7-26-19(10-14)22(23,24)25/h2-11H,1H3,(H,27,31)(H,26,29,30)
InChIKeyHDUGZMGEDCZTJZ-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.56
Rot. Bonds3

About 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide

6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 156577127) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID156577127
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc1-c1cccc2c(=O)[nH]ccc12
InChIInChI=1S/C22H15F3N4O2/c1-12-18(15-3-2-4-17-16(15)6-8-27-21(17)31)9-13(11-28-12)20(30)29-14-5-7-26-19(10-14)22(23,24)25/h2-11H,1H3,(H,27,31)(H,26,29,30)
InChIKeyHDUGZMGEDCZTJZ-UHFFFAOYSA-N
XLogP4.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-(fluoromethyl)-1-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 154685381
N-[1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 175432623
N-[2-[difluoro(hydroxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240482
N-[2-[difluoro(methoxy)methyl]-4-pyridinyl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167240510
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573
1-(1H-indol-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877782
1-methyl-5-quinolin-5-yl-N-[2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carboxamide
CID 156577181
N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
4-methyl-N-(1-oxo-2H-isoquinolin-5-yl)benzamide
CID 52936781
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (CID 156577127) is 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc1-c1cccc2c(=O)[nH]ccc12.
What is the InChIKey of 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HDUGZMGEDCZTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-12-18(15-3-2-4-17-16(15)6-8-27-21(17)31)9-13(11-28-12)20(30)29-14-5-7-26-19(10-14)22(23,24)25/h2-11H,1H3,(H,27,31)(H,26,29,30).
What are the key properties of 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-oxo-2H-isoquinolin-5-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 156577127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).