N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

C21H20FN3O — CID 109198647

IUPACN-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2F)nc1
InChIInChI=1S/C21H20FN3O/c1-14(2)16-7-3-5-9-18(16)24-15-11-12-20(23-13-15)21(26)25-19-10-6-4-8-17(19)22/h3-14,24H,1-2H3,(H,25,26)
InChIKeyZQNBFBAMECFZHQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.34
Rot. Bonds5

About N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109198647) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109198647
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2F)nc1
InChIInChI=1S/C21H20FN3O/c1-14(2)16-7-3-5-9-18(16)24-15-11-12-20(23-13-15)21(26)25-19-10-6-4-8-17(19)22/h3-14,24H,1-2H3,(H,25,26)
InChIKeyZQNBFBAMECFZHQ-UHFFFAOYSA-N
XLogP5.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109198647) is N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is CC(C)c1ccccc1Nc1ccc(C(=O)Nc2ccccc2F)nc1.
What is the InChIKey of N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is ZQNBFBAMECFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14(2)16-7-3-5-9-18(16)24-15-11-12-20(23-13-15)21(26)25-19-10-6-4-8-17(19)22/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).