N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

C21H18ClN3O — CID 109162476

IUPACN-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C21H18ClN3O/c22-17-8-10-18(11-9-17)24-21(26)16-7-12-20(23-14-16)25-13-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-12,14H,3,5,13H2,(H,24,26)
InChIKeyUOHWYAHURQCDDC-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.07
Rot. Bonds3

About N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide

N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (PubChem CID 109162476) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
PubChem CID109162476
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCc3ccccc32)nc1
InChIInChI=1S/C21H18ClN3O/c22-17-8-10-18(11-9-17)24-21(26)16-7-12-20(23-14-16)25-13-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-12,14H,3,5,13H2,(H,24,26)
InChIKeyUOHWYAHURQCDDC-UHFFFAOYSA-N
XLogP5.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
6-(3,4-dihydro-2H-quinolin-1-yl)-N-pyridin-2-ylpyridine-3-carboxamide
CID 84570413
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84570395
3-chloro-N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113016598
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113016670
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155759
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide (CID 109162476) is N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCc3ccccc32)nc1.
What is the InChIKey of N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
The InChIKey is UOHWYAHURQCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-17-8-10-18(11-9-17)24-21(26)16-7-12-20(23-14-16)25-13-3-5-15-4-1-2-6-19(15)25/h1-2,4,6-12,14H,3,5,13H2,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109162476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).