N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide

C25H18N6O2 — CID 27689112

IUPACN'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H18N6O2/c32-24(30-31-25(33)23-14-22(28-29-23)16-7-2-1-3-8-16)19-13-21(17-9-6-12-26-15-17)27-20-11-5-4-10-18(19)20/h1-15H,(H,28,29)(H,30,32)(H,31,33)
InChIKeyZBWYHQZODACIIC-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.76
Rot. Bonds4

About N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide

N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide (PubChem CID 27689112) has the molecular formula C25H18N6O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
PubChem CID27689112
Molecular FormulaC25H18N6O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC NameN'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C25H18N6O2/c32-24(30-31-25(33)23-14-22(28-29-23)16-7-2-1-3-8-16)19-13-21(17-9-6-12-26-15-17)27-20-11-5-4-10-18(19)20/h1-15H,(H,28,29)(H,30,32)(H,31,33)
InChIKeyZBWYHQZODACIIC-UHFFFAOYSA-N
XLogP3.76
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27679654
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N'-[3-(2-hydroxyphenyl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 17496046
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27670101
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide (CID 27689112) is N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
The InChIKey is ZBWYHQZODACIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2/c32-24(30-31-25(33)23-14-22(28-29-23)16-7-2-1-3-8-16)19-13-21(17-9-6-12-26-15-17)27-20-11-5-4-10-18(19)20/h1-15H,(H,28,29)(H,30,32)(H,31,33).
What are the key properties of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide?
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide has a molecular weight of 434.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 27689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).