N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H16N4O — CID 67975076

IUPACN-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2c(C#N)c(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H16N4O/c1-12-6-7-22-11-18(12)14-4-5-16-15(8-14)10-23-19(17(16)9-21)24-20(25)13-2-3-13/h4-8,10-11,13H,2-3H2,1H3,(H,23,24,25)
InChIKeyXXZGCHXUIAKYFB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.83
Rot. Bonds3

About N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67975076) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67975076
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2c(C#N)c(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H16N4O/c1-12-6-7-22-11-18(12)14-4-5-16-15(8-14)10-23-19(17(16)9-21)24-20(25)13-2-3-13/h4-8,10-11,13H,2-3H2,1H3,(H,23,24,25)
InChIKeyXXZGCHXUIAKYFB-UHFFFAOYSA-N
XLogP3.83
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123303699
cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
N-[8-methyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 142447484
N-[8-chloro-7-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 163747523
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
N-[4-(4-cyanophenyl)-1-(methylamino)isoquinolin-6-yl]cyclopropanecarboxamide
CID 170677591
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161200786
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
cis-(1R,2R)-N-[8-chloro-7-cyano-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921661

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67975076) is N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1ccc2c(C#N)c(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is XXZGCHXUIAKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-12-6-7-22-11-18(12)14-4-5-16-15(8-14)10-23-19(17(16)9-21)24-20(25)13-2-3-13/h4-8,10-11,13H,2-3H2,1H3,(H,23,24,25).
What are the key properties of N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67975076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).