2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide

C20H19N3O — CID 123303699

IUPAC2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)C3CC3C)ncc2c1
InChIInChI=1S/C20H19N3O/c1-12-5-6-21-11-18(12)15-4-3-14-9-19(22-10-16(14)8-15)23-20(24)17-7-13(17)2/h3-6,8-11,13,17H,7H2,1-2H3,(H,22,23,24)
InChIKeyKSMODRTXPBHCCF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.20
Rot. Bonds3

About 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide

2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide (PubChem CID 123303699) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
PubChem CID123303699
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2cc(NC(=O)C3CC3C)ncc2c1
InChIInChI=1S/C20H19N3O/c1-12-5-6-21-11-18(12)15-4-3-14-9-19(22-10-16(14)8-15)23-20(24)17-7-13(17)2/h3-6,8-11,13,17H,7H2,1-2H3,(H,22,23,24)
InChIKeyKSMODRTXPBHCCF-UHFFFAOYSA-N
XLogP4.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
N-[8-chloro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 175946191
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-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-[6-(2-aminopropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 123980891
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
trans-(1R,2R)-2-hydroxy-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513937
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide (CID 123303699) is 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3C)ncc2c1.
What is the InChIKey of 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is KSMODRTXPBHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12-5-6-21-11-18(12)15-4-3-14-9-19(22-10-16(14)8-15)23-20(24)17-7-13(17)2/h3-6,8-11,13,17H,7H2,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide?
2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123303699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).