N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide

C18H15N3O — CID 135200030

IUPACN-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)C1CC1c1ccncc1
InChIInChI=1S/C18H15N3O/c22-18(17-10-16(17)12-3-6-19-7-4-12)21-15-2-1-14-11-20-8-5-13(14)9-15/h1-9,11,16-17H,10H2,(H,21,22)
InChIKeyJCIKGJATNKYMTK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.37
Rot. Bonds3

About N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide

N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 135200030) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID135200030
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)C1CC1c1ccncc1
InChIInChI=1S/C18H15N3O/c22-18(17-10-16(17)12-3-6-19-7-4-12)21-15-2-1-14-11-20-8-5-13(14)9-15/h1-9,11,16-17H,10H2,(H,21,22)
InChIKeyJCIKGJATNKYMTK-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoic acid
CID 135349582
N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
CID 146436490
4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide
CID 142446993
N-isoquinolin-6-yl-2-[4-(thiophene-2-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 135199989
4-[(1R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-3-ylmethyl)benzamide
CID 155370478
[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate
CID 142446837
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(piperidin-4-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 135374939
N-(2-ethylpentyl)-4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzamide
CID 155370547
4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 142446879
benzyl 3-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoate
CID 140944098
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(1,2,3,6-tetrahydropyridin-5-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 155370506

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide (CID 135200030) is N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide is O=C(Nc1ccc2cnccc2c1)C1CC1c1ccncc1.
What is the InChIKey of N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is JCIKGJATNKYMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(17-10-16(17)12-3-6-19-7-4-12)21-15-2-1-14-11-20-8-5-13(14)9-15/h1-9,11,16-17H,10H2,(H,21,22).
What are the key properties of N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide?
N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 135200030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).