N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

C21H20FN3O2 — CID 109198964

IUPACN-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O2/c1-14(2)27-20-6-4-3-5-18(20)24-17-11-12-19(23-13-17)21(26)25-16-9-7-15(22)8-10-16/h3-14,24H,1-2H3,(H,25,26)
InChIKeyQLZCYOJMCPTZOE-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.00
Rot. Bonds6

About N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109198964) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109198964
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nc1
InChIInChI=1S/C21H20FN3O2/c1-14(2)27-20-6-4-3-5-18(20)24-17-11-12-19(23-13-17)21(26)25-16-9-7-15(22)8-10-16/h3-14,24H,1-2H3,(H,25,26)
InChIKeyQLZCYOJMCPTZOE-UHFFFAOYSA-N
XLogP5.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
5-(4-fluoroanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197166
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109198964) is N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is CC(C)Oc1ccccc1Nc1ccc(C(=O)Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is QLZCYOJMCPTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(2)27-20-6-4-3-5-18(20)24-17-11-12-19(23-13-17)21(26)25-16-9-7-15(22)8-10-16/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).