N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide

C25H19N5O — CID 112772630

IUPACN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(-c2ccccn2)n1
InChIInChI=1S/C25H19N5O/c1-17-15-24(30(29-17)23-13-7-8-14-26-23)28-25(31)20-16-22(18-9-3-2-4-10-18)27-21-12-6-5-11-19(20)21/h2-16H,1H3,(H,28,31)
InChIKeyPDWKAOUYMUTGFI-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.04
Rot. Bonds4

About N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 112772630) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
PubChem CID112772630
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(-c2ccccn2)n1
InChIInChI=1S/C25H19N5O/c1-17-15-24(30(29-17)23-13-7-8-14-26-23)28-25(31)20-16-22(18-9-3-2-4-10-18)27-21-12-6-5-11-19(20)21/h2-16H,1H3,(H,28,31)
InChIKeyPDWKAOUYMUTGFI-UHFFFAOYSA-N
XLogP5.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
2-(4-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)quinoline-4-carboxamide
CID 52548004
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-phenoxybenzamide
CID 112772631
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5239523
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
5-bromo-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 2999617
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide (CID 112772630) is N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n(-c2ccccn2)n1.
What is the InChIKey of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is PDWKAOUYMUTGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-17-15-24(30(29-17)23-13-7-8-14-26-23)28-25(31)20-16-22(18-9-3-2-4-10-18)27-21-12-6-5-11-19(20)21/h2-16H,1H3,(H,28,31).
What are the key properties of N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide?
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 112772630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).