N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

C22H17N5O — CID 6895208

IUPACN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C22H17N5O/c28-22(18-11-13-23-14-12-18)25-24-15-19-16-27(20-9-5-2-6-10-20)26-21(19)17-7-3-1-4-8-17/h1-16H,(H,25,28)/b24-15+
InChIKeyWGJLDGXBPUWGKB-BUVRLJJBSA-N
MW367.41 g/mol
LogP3.70
Rot. Bonds5

About N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6895208) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID6895208
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1
InChIInChI=1S/C22H17N5O/c28-22(18-11-13-23-14-12-18)25-24-15-19-16-27(20-9-5-2-6-10-20)26-21(19)17-7-3-1-4-8-17/h1-16H,(H,25,28)/b24-15+
InChIKeyWGJLDGXBPUWGKB-BUVRLJJBSA-N
XLogP3.70
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (CID 6895208) is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is WGJLDGXBPUWGKB-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22(18-11-13-23-14-12-18)25-24-15-19-16-27(20-9-5-2-6-10-20)26-21(19)17-7-3-1-4-8-17/h1-16H,(H,25,28)/b24-15+.
What are the key properties of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).