N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide

C15H15F2N3O — CID 113023196

IUPACN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H15F2N3O/c1-9(2)15(21)20-11-4-6-14(18-8-11)19-10-3-5-12(16)13(17)7-10/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyYINLOXXDELLPAV-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.70
Rot. Bonds4

About N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide

N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide (PubChem CID 113023196) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
PubChem CID113023196
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C15H15F2N3O/c1-9(2)15(21)20-11-4-6-14(18-8-11)19-10-3-5-12(16)13(17)7-10/h3-9H,1-2H3,(H,18,19)(H,20,21)
InChIKeyYINLOXXDELLPAV-UHFFFAOYSA-N
XLogP3.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
CID 113016947
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]propanamide
CID 113016197
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
CID 113023257
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
CID 115268625
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide (CID 113023196) is N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is YINLOXXDELLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-9(2)15(21)20-11-4-6-14(18-8-11)19-10-3-5-12(16)13(17)7-10/h3-9H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide?
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 291.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113023196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).