N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide

C19H17N3O — CID 167881675

IUPACN-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)C1(c2cccnc2)CCC1
InChIInChI=1S/C19H17N3O/c23-18(19(7-2-8-19)16-3-1-9-20-13-16)22-17-5-4-15-12-21-10-6-14(15)11-17/h1,3-6,9-13H,2,7-8H2,(H,22,23)
InChIKeyHSLXDPSQGPHDHQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.69
Rot. Bonds3

About N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide

N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide (PubChem CID 167881675) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
PubChem CID167881675
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)C1(c2cccnc2)CCC1
InChIInChI=1S/C19H17N3O/c23-18(19(7-2-8-19)16-3-1-9-20-13-16)22-17-5-4-15-12-21-10-6-14(15)11-17/h1,3-6,9-13H,2,7-8H2,(H,22,23)
InChIKeyHSLXDPSQGPHDHQ-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydroindol-5-yl)-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 166292626
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
(4-methoxyphenyl) 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 166293705
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-methylphenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542569

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The IUPAC name of N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide (CID 167881675) is N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide is O=C(Nc1ccc2cnccc2c1)C1(c2cccnc2)CCC1.
What is the InChIKey of N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide?
The InChIKey is HSLXDPSQGPHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-18(19(7-2-8-19)16-3-1-9-20-13-16)22-17-5-4-15-12-21-10-6-14(15)11-17/h1,3-6,9-13H,2,7-8H2,(H,22,23).
What are the key properties of N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide?
N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.69, 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-1-pyridin-3-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 167881675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).