N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide

C24H22N4O — CID 134046176

IUPACN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N4O/c1-19-10-12-20(13-11-19)17-27-14-6-5-9-23(27)26-24(29)15-21-16-25-28(18-21)22-7-3-2-4-8-22/h2-14,16,18H,15,17H2,1H3/b26-23+
InChIKeyMHAOECMKRKCKCC-WNAAXNPUSA-N
MW382.47 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide

N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 134046176) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID134046176
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc(Cn2cccc/c2=N\C(=O)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H22N4O/c1-19-10-12-20(13-11-19)17-27-14-6-5-9-23(27)26-24(29)15-21-16-25-28(18-21)22-7-3-2-4-8-22/h2-14,16,18H,15,17H2,1H3/b26-23+
InChIKeyMHAOECMKRKCKCC-WNAAXNPUSA-N
XLogP3.70
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
CID 60605361
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
trans-(1R,2R)-2-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]cyclopropane-1-carboxamide
CID 92854461
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
CID 134012253
N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
CID 60584634
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide (CID 134046176) is N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide is Cc1ccc(Cn2cccc/c2=N\C(=O)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MHAOECMKRKCKCC-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H22N4O/c1-19-10-12-20(13-11-19)17-27-14-6-5-9-23(27)26-24(29)15-21-16-25-28(18-21)22-7-3-2-4-8-22/h2-14,16,18H,15,17H2,1H3/b26-23+.
What are the key properties of N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134046176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).