N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

C18H17N5O2 — CID 4661141

IUPACN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1c(C=NNC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O2/c1-13-16(12-20-21-17(24)14-7-6-10-19-11-14)18(25)23(22(13)2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,24)
InChIKeyQOKLKKXBUBZROA-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.64
Rot. Bonds4

About N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 4661141) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID4661141
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1c(C=NNC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H17N5O2/c1-13-16(12-20-21-17(24)14-7-6-10-19-11-14)18(25)23(22(13)2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,24)
InChIKeyQOKLKKXBUBZROA-UHFFFAOYSA-N
XLogP1.64
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
CID 6267835
N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 50855840
N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
CID 9058739
N-[(E)-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylideneamino]pyridine-3-carboxamide
CID 135733865
1-N,4-N-bis[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide
CID 5470417
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 135519928
N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
CID 2451345
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 6905938
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 5414802

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (CID 4661141) is N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is Cc1c(C=NNC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is QOKLKKXBUBZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-16(12-20-21-17(24)14-7-6-10-19-11-14)18(25)23(22(13)2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4661141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).