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

C20H21N5O3 — CID 131990271

IUPAC5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(=O)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H21N5O3/c1-13-10-15(19(27)23-12-13)18(26)21-8-5-9-22-20(28)17-11-16(24-25-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)
InChIKeyYZWLGXYAPVANEM-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.62
Rot. Bonds7

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

5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide (PubChem CID 131990271) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
PubChem CID131990271
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
SMILESCc1c[nH]c(=O)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C20H21N5O3/c1-13-10-15(19(27)23-12-13)18(26)21-8-5-9-22-20(28)17-11-16(24-25-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)
InChIKeyYZWLGXYAPVANEM-UHFFFAOYSA-N
XLogP1.62
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
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5-hydroxy-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
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CID 131990206
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 131990284

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide (CID 131990271) is 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide is Cc1c[nH]c(=O)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide?
The InChIKey is YZWLGXYAPVANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-10-15(19(27)23-12-13)18(26)21-8-5-9-22-20(28)17-11-16(24-25-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25).
What are the key properties of 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide?
5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131990271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).