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

C22H20ClN3O — CID 109236178

IUPACN-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H20ClN3O/c1-15-20(23)7-4-8-21(15)25-22(27)18-11-19(13-24-12-18)26-10-9-16-5-2-3-6-17(16)14-26/h2-8,11-13H,9-10,14H2,1H3,(H,25,27)
InChIKeyDSUZDFCFIHFUHP-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.86
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 109236178) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID109236178
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H20ClN3O/c1-15-20(23)7-4-8-21(15)25-22(27)18-11-19(13-24-12-18)26-10-9-16-5-2-3-6-17(16)14-26/h2-8,11-13H,9-10,14H2,1H3,(H,25,27)
InChIKeyDSUZDFCFIHFUHP-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108144
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236182
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233544
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 109236178) is N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cncc(N2CCc3ccccc3C2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is DSUZDFCFIHFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c1-15-20(23)7-4-8-21(15)25-22(27)18-11-19(13-24-12-18)26-10-9-16-5-2-3-6-17(16)14-26/h2-8,11-13H,9-10,14H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109236178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).