2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

C20H17ClFN3O — CID 109172487

IUPAC2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(Nc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-6-2-4-8-18(16)25-19-13-15(10-11-23-19)20(26)24-12-9-14-5-1-3-7-17(14)22/h1-8,10-11,13H,9,12H2,(H,23,25)(H,24,26)
InChIKeyOJESHUIGEVOZBA-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.59
Rot. Bonds6

About 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172487) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172487
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(Nc2ccccc2Cl)c1
InChIInChI=1S/C20H17ClFN3O/c21-16-6-2-4-8-18(16)25-19-13-15(10-11-23-19)20(26)24-12-9-14-5-1-3-7-17(14)22/h1-8,10-11,13H,9,12H2,(H,23,25)(H,24,26)
InChIKeyOJESHUIGEVOZBA-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
5-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284282
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
CID 109172077
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109173836
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 109172487) is 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is O=C(NCCc1ccccc1F)c1ccnc(Nc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is OJESHUIGEVOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-16-6-2-4-8-18(16)25-19-13-15(10-11-23-19)20(26)24-12-9-14-5-1-3-7-17(14)22/h1-8,10-11,13H,9,12H2,(H,23,25)(H,24,26).
What are the key properties of 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).