N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H16FN3O — CID 67974368

IUPACN-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H16FN3O/c1-11-17(8-16(20)10-21-11)14-5-4-13-7-18(22-9-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,23,24)
InChIKeyROXXQZPPJKZYHH-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.09
Rot. Bonds3

About N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974368) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974368
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H16FN3O/c1-11-17(8-16(20)10-21-11)14-5-4-13-7-18(22-9-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,23,24)
InChIKeyROXXQZPPJKZYHH-UHFFFAOYSA-N
XLogP4.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Las-101057
CID 16071896
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
hGPR91 antagonist 1
CID 53358775
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
N-(7-(5-fluoro-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974814
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
US10251893, Cpd 51
CID 46926891
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974368) is N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ncc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ROXXQZPPJKZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-11-17(8-16(20)10-21-11)14-5-4-13-7-18(22-9-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,23,24).
What are the key properties of N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 321.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).