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

C22H16FN5O — CID 1364494

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C22H16FN5O/c23-19-8-6-16(7-9-19)21-18(15-28(27-21)20-4-2-1-3-5-20)14-25-26-22(29)17-10-12-24-13-11-17/h1-15H,(H,26,29)
InChIKeyNBSUCOAOXWSYGI-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.84
Rot. Bonds5

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

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 1364494) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID1364494
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C22H16FN5O/c23-19-8-6-16(7-9-19)21-18(15-28(27-21)20-4-2-1-3-5-20)14-25-26-22(29)17-10-12-24-13-11-17/h1-15H,(H,26,29)
InChIKeyNBSUCOAOXWSYGI-UHFFFAOYSA-N
XLogP3.84
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.84
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-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (CID 1364494) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is NBSUCOAOXWSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O/c23-19-8-6-16(7-9-19)21-18(15-28(27-21)20-4-2-1-3-5-20)14-25-26-22(29)17-10-12-24-13-11-17/h1-15H,(H,26,29).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 1364494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).