5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide

C21H16F2N2O3 — CID 89207947

IUPAC5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C21H16F2N2O3/c1-13-8-14(2-3-15(13)12-26)10-24-20(27)19-9-17(23)11-25-21(19)28-18-6-4-16(22)5-7-18/h2-9,11-12H,10H2,1H3,(H,24,27)
InChIKeyWHNHXFDXZMBWKZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.20
Rot. Bonds6

About 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide

5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 89207947) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID89207947
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C21H16F2N2O3/c1-13-8-14(2-3-15(13)12-26)10-24-20(27)19-9-17(23)11-25-21(19)28-18-6-4-16(22)5-7-18/h2-9,11-12H,10H2,1H3,(H,24,27)
InChIKeyWHNHXFDXZMBWKZ-UHFFFAOYSA-N
XLogP4.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
CID 158285072
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
4-[[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69051381
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
CID 141112093
4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
CID 89207946
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide (CID 89207947) is 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)ccc1C=O.
What is the InChIKey of 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WHNHXFDXZMBWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-13-8-14(2-3-15(13)12-26)10-24-20(27)19-9-17(23)11-25-21(19)28-18-6-4-16(22)5-7-18/h2-9,11-12H,10H2,1H3,(H,24,27).
What are the key properties of 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide?
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 89207947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).