N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

C22H18N4O — CID 109197949

IUPACN-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H18N4O/c23-14-16-7-9-18(10-8-16)25-22(27)20-12-11-19(15-24-20)26-13-3-5-17-4-1-2-6-21(17)26/h1-2,4,6-12,15H,3,5,13H2,(H,25,27)
InChIKeyUDRGSGSNGMMADE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.29
Rot. Bonds3

About N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide

N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (PubChem CID 109197949) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
PubChem CID109197949
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N3CCCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H18N4O/c23-14-16-7-9-18(10-8-16)25-22(27)20-12-11-19(15-24-20)26-13-3-5-17-4-1-2-6-21(17)26/h1-2,4,6-12,15H,3,5,13H2,(H,25,27)
InChIKeyUDRGSGSNGMMADE-UHFFFAOYSA-N
XLogP4.29
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
CID 83120051
N-(4-cyanophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100339
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide (CID 109197949) is N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(N3CCCc4ccccc43)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
The InChIKey is UDRGSGSNGMMADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-14-16-7-9-18(10-8-16)25-22(27)20-12-11-19(15-24-20)26-13-3-5-17-4-1-2-6-21(17)26/h1-2,4,6-12,15H,3,5,13H2,(H,25,27).
What are the key properties of N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide?
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109197949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).