N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide

C20H17ClFN3O — CID 109220315

IUPACN-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c1-2-25(15-6-4-3-5-7-15)16-10-11-23-19(13-16)20(26)24-14-8-9-18(22)17(21)12-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyUZZIFNCOPDVIDZ-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.28
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide (PubChem CID 109220315) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
PubChem CID109220315
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H17ClFN3O/c1-2-25(15-6-4-3-5-7-15)16-10-11-23-19(13-16)20(26)24-14-8-9-18(22)17(21)12-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyUZZIFNCOPDVIDZ-UHFFFAOYSA-N
XLogP5.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109220342
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
4-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109220359
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide (CID 109220315) is N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide?
The InChIKey is UZZIFNCOPDVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-2-25(15-6-4-3-5-7-15)16-10-11-23-19(13-16)20(26)24-14-8-9-18(22)17(21)12-14/h3-13H,2H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).