2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide

C24H17N5O — CID 55560796

IUPAC2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H17N5O/c30-24(27-18-11-12-23(25-16-18)29-14-6-13-26-29)20-15-22(17-7-2-1-3-8-17)28-21-10-5-4-9-19(20)21/h1-16H,(H,27,30)
InChIKeyIEPSWNXJPSURIK-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.73
Rot. Bonds4

About 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide

2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide (PubChem CID 55560796) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
PubChem CID55560796
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC Name2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H17N5O/c30-24(27-18-11-12-23(25-16-18)29-14-6-13-26-29)20-15-22(17-7-2-1-3-8-17)28-21-10-5-4-9-19(20)21/h1-16H,(H,27,30)
InChIKeyIEPSWNXJPSURIK-UHFFFAOYSA-N
XLogP4.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]quinoline-4-carboxamide
CID 25332835
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 56566302
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-phenyl-N-(1-pyridin-4-ylpyrazol-3-yl)quinoline-4-carboxamide
CID 166205807

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide (CID 55560796) is 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide?
The InChIKey is IEPSWNXJPSURIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c30-24(27-18-11-12-23(25-16-18)29-14-6-13-26-29)20-15-22(17-7-2-1-3-8-17)28-21-10-5-4-9-19(20)21/h1-16H,(H,27,30).
What are the key properties of 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide?
2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 55560796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).