2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide

C21H23N3O2 — CID 71700597

IUPAC2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-15(2)13-24-14-19(17-8-3-4-9-18(17)21(24)26)20(25)23-12-10-16-7-5-6-11-22-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,23,25)
InChIKeyMYSRIVZFUQRJMY-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide

2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide (PubChem CID 71700597) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
PubChem CID71700597
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-15(2)13-24-14-19(17-8-3-4-9-18(17)21(24)26)20(25)23-12-10-16-7-5-6-11-22-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,23,25)
InChIKeyMYSRIVZFUQRJMY-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
2-(2-ethylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 142054987
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide (CID 71700597) is 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide is CC(C)Cn1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
The InChIKey is MYSRIVZFUQRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)13-24-14-19(17-8-3-4-9-18(17)21(24)26)20(25)23-12-10-16-7-5-6-11-22-16/h3-9,11,14-15H,10,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide?
2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-oxo-N-(2-pyridin-2-ylethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 71700597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).