2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide

C18H16N4O4 — CID 135699094

IUPAC2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)c(C(N)=O)c(O)[nH]c1=O
InChIInChI=1S/C18H16N4O4/c1-9-12(16(24)20-17(25)14(9)15(19)23)8-13-10(2)21-22(18(13)26)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,19,23)(H2,20,24,25)/b13-8-
InChIKeyDNEFOLMQYFSCRX-JYRVWZFOSA-N
MW352.35 g/mol
LogP1.29
Rot. Bonds3

About 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide

2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 135699094) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID135699094
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)c(C(N)=O)c(O)[nH]c1=O
InChIInChI=1S/C18H16N4O4/c1-9-12(16(24)20-17(25)14(9)15(19)23)8-13-10(2)21-22(18(13)26)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,19,23)(H2,20,24,25)/b13-8-
InChIKeyDNEFOLMQYFSCRX-JYRVWZFOSA-N
XLogP1.29
TPSA128.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-5-methyl-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylidene]pyrazol-3-one
CID 136866788
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
(4E)-5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]pyrazol-3-one
CID 94844047
6-hydroxy-5-[(E)-[1-(4-methoxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1-phenylpyrimidine-2,4-dione
CID 135688552
4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3580926
5-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135625963
6-hydroxy-1,3-dimethyl-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrimidine-2,4-dione
CID 2294119
5-[(E)-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 135821587
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3800498
4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoate
CID 7369363
1-(3-chlorophenyl)-6-hydroxy-5-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]pyrimidine-2,4-dione
CID 1022889
(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 135754554

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 135699094) is 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide is CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)c(C(N)=O)c(O)[nH]c1=O.
What is the InChIKey of 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DNEFOLMQYFSCRX-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-9-12(16(24)20-17(25)14(9)15(19)23)8-13-10(2)21-22(18(13)26)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,19,23)(H2,20,24,25)/b13-8-.
What are the key properties of 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide?
2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 135699094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).