1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide

C14H14ClN3O2 — CID 82419346

IUPAC1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1-n1cc(C(=O)NN)c(=O)cc1C
InChIInChI=1S/C14H14ClN3O2/c1-8-5-10(15)3-4-12(8)18-7-11(14(20)17-16)13(19)6-9(18)2/h3-7H,16H2,1-2H3,(H,17,20)
InChIKeyOKKPOSPDAPBJON-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide

1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (PubChem CID 82419346) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
PubChem CID82419346
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
SMILESCc1cc(Cl)ccc1-n1cc(C(=O)NN)c(=O)cc1C
InChIInChI=1S/C14H14ClN3O2/c1-8-5-10(15)3-4-12(8)18-7-11(14(20)17-16)13(19)6-9(18)2/h3-7H,16H2,1-2H3,(H,17,20)
InChIKeyOKKPOSPDAPBJON-UHFFFAOYSA-N
XLogP1.71
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)-6-methyl-4-oxopyridine-3-carbohydrazide
CID 82420817
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
5-acetyl-2-methyl-1-(2,3,4-trifluorophenyl)pyridin-4-one
CID 82420875
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82420382
2-[1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxo-3-pyridinyl]acetic acid
CID 82420521
5-acetyl-N,1-bis(4-chloro-2-methylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
CID 162715923
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
3-(4-chloro-2-methylphenyl)-5-methylimidazole-4-carboxylic acid
CID 82480999
5-acetyl-1-(2,6-dimethylphenyl)-2-methylpyridin-4-one
CID 82420257
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide (CID 82419346) is 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is Cc1cc(Cl)ccc1-n1cc(C(=O)NN)c(=O)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
The InChIKey is OKKPOSPDAPBJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-5-10(15)3-4-12(8)18-7-11(14(20)17-16)13(19)6-9(18)2/h3-7H,16H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide?
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide has a molecular weight of 291.74 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 82419346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).