N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

C23H19N5O — CID 4504148

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H19N5O/c29-23(20-11-13-24-14-12-20)26-25-15-21-17-28(16-18-7-3-1-4-8-18)27-22(21)19-9-5-2-6-10-19/h1-15,17H,16H2,(H,26,29)
InChIKeyRGFBJVFGIVRMQJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.76
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 4504148) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID4504148
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C23H19N5O/c29-23(20-11-13-24-14-12-20)26-25-15-21-17-28(16-18-7-3-1-4-8-18)27-22(21)19-9-5-2-6-10-19/h1-15,17H,16H2,(H,26,29)
InChIKeyRGFBJVFGIVRMQJ-UHFFFAOYSA-N
XLogP3.76
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-phenyl-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
CID 42559854
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]-4-methylbenzamide
CID 9175314
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
N-[(E)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 19578405
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 9142622
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(E)-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 6899098
N-[(Z)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 9211955
N-[(Z)-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 9015279

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (CID 4504148) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is RGFBJVFGIVRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c29-23(20-11-13-24-14-12-20)26-25-15-21-17-28(16-18-7-3-1-4-8-18)27-22(21)19-9-5-2-6-10-19/h1-15,17H,16H2,(H,26,29).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 4504148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).