N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide

C17H15N3O — CID 171674202

IUPACN-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1nccc2ccccc12
InChIInChI=1S/C17H15N3O/c21-17(20-12-9-14-6-3-4-10-18-14)16-15-7-2-1-5-13(15)8-11-19-16/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyBTQUAXCBNHARQN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.60
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide

N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide (PubChem CID 171674202) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
PubChem CID171674202
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
SMILESO=C(NCCc1ccccn1)c1nccc2ccccc12
InChIInChI=1S/C17H15N3O/c21-17(20-12-9-14-6-3-4-10-18-14)16-15-7-2-1-5-13(15)8-11-19-16/h1-8,10-11H,9,12H2,(H,20,21)
InChIKeyBTQUAXCBNHARQN-UHFFFAOYSA-N
XLogP2.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 107487027
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
6-amino-3-chloro-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62153756
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
N-(4-cyanobutyl)isoquinoline-1-carboxamide
CID 63296934
2-(isoquinolin-1-ylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111039336
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide (CID 171674202) is N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide is O=C(NCCc1ccccn1)c1nccc2ccccc12.
What is the InChIKey of N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide?
The InChIKey is BTQUAXCBNHARQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(20-12-9-14-6-3-4-10-18-14)16-15-7-2-1-5-13(15)8-11-19-16/h1-8,10-11H,9,12H2,(H,20,21).
What are the key properties of N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide?
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 171674202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).