N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide

C16H14FN3O — CID 171131915

IUPACN-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide
SMILESCC(C=Cc1ccccc1F)=NNC(=O)c1cccnc1
InChIInChI=1S/C16H14FN3O/c1-12(8-9-13-5-2-3-7-15(13)17)19-20-16(21)14-6-4-10-18-11-14/h2-11H,1H3,(H,20,21)
InChIKeyNOWKMKUEMLASBL-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.04
Rot. Bonds4

About N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide

N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide (PubChem CID 171131915) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide
PubChem CID171131915
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide
SMILESCC(C=Cc1ccccc1F)=NNC(=O)c1cccnc1
InChIInChI=1S/C16H14FN3O/c1-12(8-9-13-5-2-3-7-15(13)17)19-20-16(21)14-6-4-10-18-11-14/h2-11H,1H3,(H,20,21)
InChIKeyNOWKMKUEMLASBL-UHFFFAOYSA-N
XLogP3.04
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]pyridine-3-carboxamide
CID 726780
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
(E)-3-(2-fluorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 108924503
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[(Z)-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 92851101

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide (CID 171131915) is N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide is CC(C=Cc1ccccc1F)=NNC(=O)c1cccnc1.
What is the InChIKey of N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide?
The InChIKey is NOWKMKUEMLASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-12(8-9-13-5-2-3-7-15(13)17)19-20-16(21)14-6-4-10-18-11-14/h2-11H,1H3,(H,20,21).
What are the key properties of N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide?
N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)but-3-en-2-ylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 171131915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).