4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C21H20FN3O2 — CID 109211451

IUPAC4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-19-9-7-17(8-10-19)25-18-11-12-23-20(13-18)21(26)24-14-15-3-5-16(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZDFGVKSNOEANE-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.29
Rot. Bonds7

About 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211451) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211451
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-19-9-7-17(8-10-19)25-18-11-12-23-20(13-18)21(26)24-14-15-3-5-16(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIZDFGVKSNOEANE-UHFFFAOYSA-N
XLogP4.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214230

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211451) is 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CCOc1ccc(Nc2ccnc(C(=O)NCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is IZDFGVKSNOEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-27-19-9-7-17(8-10-19)25-18-11-12-23-20(13-18)21(26)24-14-15-3-5-16(22)6-4-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).