6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one

C23H21N5O — CID 9025043

IUPAC6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2c(N)cc(C)cc2=O)c1
InChIInChI=1S/C23H21N5O/c1-16-7-6-8-18(11-16)23-19(15-27(26-23)20-9-4-3-5-10-20)14-25-28-21(24)12-17(2)13-22(28)29/h3-15H,24H2,1-2H3/b25-14-
InChIKeyVZWLPTKXTPOVGZ-QFEZKATASA-N
MW383.46 g/mol
LogP3.78
Rot. Bonds4

About 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one

6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one (PubChem CID 9025043) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
PubChem CID9025043
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one
SMILESCc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2c(N)cc(C)cc2=O)c1
InChIInChI=1S/C23H21N5O/c1-16-7-6-8-18(11-16)23-19(15-27(26-23)20-9-4-3-5-10-20)14-25-28-21(24)12-17(2)13-22(28)29/h3-15H,24H2,1-2H3/b25-14-
InChIKeyVZWLPTKXTPOVGZ-QFEZKATASA-N
XLogP3.78
TPSA78.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025080
4-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295694
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 156700548
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile
CID 8828486
2-methyl-3-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinazolin-4-one
CID 23350657
N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]tetradecanamide
CID 124632202
N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]cyclohexanecarboxamide
CID 51061602
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
5-bromo-N-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 6267958
(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014497
5-bromo-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 4641327
2-amino-1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-(3-nitrophenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 71602917

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one?
The IUPAC name of 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one (CID 9025043) is 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one.
What is the SMILES notation for 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one?
The canonical SMILES for 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one is Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N\n2c(N)cc(C)cc2=O)c1.
What is the InChIKey of 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one?
The InChIKey is VZWLPTKXTPOVGZ-QFEZKATASA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-7-6-8-18(11-16)23-19(15-27(26-23)20-9-4-3-5-10-20)14-25-28-21(24)12-17(2)13-22(28)29/h3-15H,24H2,1-2H3/b25-14-.
What are the key properties of 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one?
6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one has a molecular weight of 383.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-[(Z)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-one is sourced from PubChem (CID 9025043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).