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

C21H20FN3O — CID 109211188

IUPAC4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H20FN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyMURITLQBDIQDNP-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.31
Rot. Bonds6

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

4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211188) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211188
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C21H20FN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyMURITLQBDIQDNP-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211188) is 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MURITLQBDIQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).