N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide

C20H16FN3O — CID 6941486

IUPACN-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C20H16FN3O/c1-14(23-24-20(25)19-9-5-6-12-22-19)17-11-10-16(13-18(17)21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)/b23-14+
InChIKeyMWORIRIGJAESQF-OEAKJJBVSA-N
MW333.37 g/mol
LogP4.04
Rot. Bonds4

About N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide

N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 6941486) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID6941486
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C20H16FN3O/c1-14(23-24-20(25)19-9-5-6-12-22-19)17-11-10-16(13-18(17)21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)/b23-14+
InChIKeyMWORIRIGJAESQF-OEAKJJBVSA-N
XLogP4.04
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.04
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-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 8971589
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 768102
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872905
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide (CID 6941486) is N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide is C/C(=N\NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is MWORIRIGJAESQF-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-14(23-24-20(25)19-9-5-6-12-22-19)17-11-10-16(13-18(17)21)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25)/b23-14+.
What are the key properties of N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide?
N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 6941486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).