4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide

C25H23N5O2 — CID 131990295

IUPAC4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H23N5O2/c31-24(22-16-20(12-15-26-22)18-8-3-1-4-9-18)27-13-7-14-28-25(32)23-17-21(29-30-23)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyOADRTSJLFPJHBW-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.69
Rot. Bonds8

About 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide

4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 131990295) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
PubChem CID131990295
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C25H23N5O2/c31-24(22-16-20(12-15-26-22)18-8-3-1-4-9-18)27-13-7-14-28-25(32)23-17-21(29-30-23)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,31)(H,28,32)(H,29,30)
InChIKeyOADRTSJLFPJHBW-UHFFFAOYSA-N
XLogP3.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131991761
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 131990284
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274
5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990271
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide (CID 131990295) is 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide is O=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is OADRTSJLFPJHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(22-16-20(12-15-26-22)18-8-3-1-4-9-18)27-13-7-14-28-25(32)23-17-21(29-30-23)19-10-5-2-6-11-19/h1-6,8-12,15-17H,7,13-14H2,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide?
4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 131990295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).