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

C21H20FN3O2 — CID 109211207

IUPAC4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-18-9-7-16(8-10-18)25-17-11-12-23-20(13-17)21(26)24-14-15-5-3-4-6-19(15)22/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyKKXUXJBASKNMBA-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.29
Rot. Bonds7

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

4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211207) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211207
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-18-9-7-16(8-10-18)25-17-11-12-23-20(13-17)21(26)24-14-15-5-3-4-6-19(15)22/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyKKXUXJBASKNMBA-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

N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211244
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211207) is 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is CCOc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is KKXUXJBASKNMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-27-18-9-7-16(8-10-18)25-17-11-12-23-20(13-17)21(26)24-14-15-5-3-4-6-19(15)22/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(4-ethoxyanilino)-N-[(2-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-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).