5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

C21H20FN3O2 — CID 109189418

IUPAC5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-20-10-6-5-9-18(20)25-16-11-12-19(23-14-16)21(26)24-13-15-7-3-4-8-17(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyRZTAXDURWZSBSX-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.29
Rot. Bonds7

About 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109189418) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109189418
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nc1
InChIInChI=1S/C21H20FN3O2/c1-2-27-20-10-6-5-9-18(20)25-16-11-12-19(23-14-16)21(26)24-13-15-7-3-4-8-17(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26)
InChIKeyRZTAXDURWZSBSX-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-(2,6-difluorophenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109200015
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
4-N-(2-ethoxyphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086463
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109189418) is 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is CCOc1ccccc1Nc1ccc(C(=O)NCc2ccccc2F)nc1.
What is the InChIKey of 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is RZTAXDURWZSBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-27-20-10-6-5-9-18(20)25-16-11-12-19(23-14-16)21(26)24-13-15-7-3-4-8-17(15)22/h3-12,14,25H,2,13H2,1H3,(H,24,26).
What are the key properties of 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
5-(2-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 5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109189418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).