N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide

C21H20FN3O2 — CID 112837289

IUPACN-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C21H20FN3O2/c1-3-27-19-13-16(22)10-11-18(19)24-21(26)15-9-12-20(23-14-15)25(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyVXJODFYXPBZWQN-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.64
Rot. Bonds6

About N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide

N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112837289) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112837289
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C21H20FN3O2/c1-3-27-19-13-16(22)10-11-18(19)24-21(26)15-9-12-20(23-14-15)25(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyVXJODFYXPBZWQN-UHFFFAOYSA-N
XLogP4.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830348
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
3,5-dibromo-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 107980262
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
3-bromo-N-(2-ethoxy-4-fluorophenyl)-4-fluorobenzamide
CID 103706921
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47251252
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide (CID 112837289) is N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide is CCOc1cc(F)ccc1NC(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is VXJODFYXPBZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-27-19-13-16(22)10-11-18(19)24-21(26)15-9-12-20(23-14-15)25(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112837289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).