N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

C20H17ClFN3O — CID 109170168

IUPACN-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H17ClFN3O/c1-13(14-5-3-2-4-6-14)24-19-11-15(9-10-23-19)20(26)25-16-7-8-18(22)17(21)12-16/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyBNUIUDHKOZJLMS-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.30
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (PubChem CID 109170168) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
PubChem CID109170168
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
SMILESCC(Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H17ClFN3O/c1-13(14-5-3-2-4-6-14)24-19-11-15(9-10-23-19)20(26)25-16-7-8-18(22)17(21)12-16/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyBNUIUDHKOZJLMS-UHFFFAOYSA-N
XLogP5.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
CID 121380207
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide (CID 109170168) is N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is CC(Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
The InChIKey is BNUIUDHKOZJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13(14-5-3-2-4-6-14)24-19-11-15(9-10-23-19)20(26)25-16-7-8-18(22)17(21)12-16/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109170168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).