2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide

C16H16ClN3O — CID 75374187

IUPAC2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCc2c(Cl)cccc2C1
InChIInChI=1S/C16H16ClN3O/c1-18-16(21)13-5-3-8-19-15(13)20-9-7-12-11(10-20)4-2-6-14(12)17/h2-6,8H,7,9-10H2,1H3,(H,18,21)
InChIKeyXCFQASXYHSGZTD-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.66
Rot. Bonds2

About 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide

2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide (PubChem CID 75374187) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
PubChem CID75374187
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCc2c(Cl)cccc2C1
InChIInChI=1S/C16H16ClN3O/c1-18-16(21)13-5-3-8-19-15(13)20-9-7-12-11(10-20)4-2-6-14(12)17/h2-6,8H,7,9-10H2,1H3,(H,18,21)
InChIKeyXCFQASXYHSGZTD-UHFFFAOYSA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
CID 133325201
N-methyl-2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133350124
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 61015190
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
3-[[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312688
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699
N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide
CID 154569226
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84574700
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide (CID 75374187) is 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCc2c(Cl)cccc2C1.
What is the InChIKey of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is XCFQASXYHSGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-18-16(21)13-5-3-8-19-15(13)20-9-7-12-11(10-20)4-2-6-14(12)17/h2-6,8H,7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide?
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 75374187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).