4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid

C22H23N5O6 — CID 163327768

IUPAC4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid
SMILESCCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21N5O2.C2H2O4/c1-3-19(26)23-18-12-14(2)24-25(18)17-9-7-15(8-10-17)20(27)22-13-16-6-4-5-11-21-16;3-1(4)2(5)6/h4-12H,3,13H2,1-2H3,(H,22,27)(H,23,26);(H,3,4)(H,5,6)
InChIKeySVWJSYVWGUIQQG-UHFFFAOYSA-N
MW453.46 g/mol
LogP2.01
Rot. Bonds6

About 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid

4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid (PubChem CID 163327768) has the molecular formula C22H23N5O6 and a molecular weight of 453.46 g/mol. Its IUPAC name is 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid.

Molecular Properties

Compound Name4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid
PubChem CID163327768
Molecular FormulaC22H23N5O6
Molecular Weight453.46 g/mol
Exact Mass453.16
IUPAC Name4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid
SMILESCCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21N5O2.C2H2O4/c1-3-19(26)23-18-12-14(2)24-25(18)17-9-7-15(8-10-17)20(27)22-13-16-6-4-5-11-21-16;3-1(4)2(5)6/h4-12H,3,13H2,1-2H3,(H,22,27)(H,23,26);(H,3,4)(H,5,6)
InChIKeySVWJSYVWGUIQQG-UHFFFAOYSA-N
XLogP2.01
TPSA163.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46334780
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
CID 3332935
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid?
The IUPAC name of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid (CID 163327768) is 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid.
What is the SMILES notation for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid?
The canonical SMILES for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid is CCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NCc2ccccn2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid?
The InChIKey is SVWJSYVWGUIQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C2H2O4/c1-3-19(26)23-18-12-14(2)24-25(18)17-9-7-15(8-10-17)20(27)22-13-16-6-4-5-11-21-16;3-1(4)2(5)6/h4-12H,3,13H2,1-2H3,(H,22,27)(H,23,26);(H,3,4)(H,5,6).
What are the key properties of 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid?
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid has a molecular weight of 453.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide;oxalic acid is sourced from PubChem (CID 163327768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).