N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide

C23H19N5O2 — CID 7976863

IUPACN-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccccn2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-20-12-10-17(11-13-20)22-18(16-28(27-22)19-7-3-2-4-8-19)15-25-26-23(29)21-9-5-6-14-24-21/h2-16H,1H3,(H,26,29)/b25-15-
InChIKeyCFZSVOJGSPOHID-MYYYXRDXSA-N
MW397.44 g/mol
LogP3.71
Rot. Bonds6

About N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 7976863) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID7976863
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccccn2)cc1
InChIInChI=1S/C23H19N5O2/c1-30-20-12-10-17(11-13-20)22-18(16-28(27-22)19-7-3-2-4-8-19)15-25-26-23(29)21-9-5-6-14-24-21/h2-16H,1H3,(H,26,29)/b25-15-
InChIKeyCFZSVOJGSPOHID-MYYYXRDXSA-N
XLogP3.71
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.71
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

4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
1-[(4-chlorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyrazole-3-carboxamide
CID 1027705
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 34306104
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 51061653
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 51061895
N-(3-methoxyphenyl)-N'-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 51061241
4-methoxy-N-[(Z)-[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9231607
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide
CID 3647905

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide (CID 7976863) is N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is CFZSVOJGSPOHID-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-20-12-10-17(11-13-20)22-18(16-28(27-22)19-7-3-2-4-8-19)15-25-26-23(29)21-9-5-6-14-24-21/h2-16H,1H3,(H,26,29)/b25-15-.
What are the key properties of N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 7976863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).