5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide

C15H14ClF2N3O2 — CID 133294137

IUPAC5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1OCC(F)F
InChIInChI=1S/C15H14ClF2N3O2/c1-8-2-3-10(5-12(8)23-7-13(17)18)21-15-11(16)4-9(6-20-15)14(19)22/h2-6,13H,7H2,1H3,(H2,19,22)(H,20,21)
InChIKeyUFXVOOZMSFVYMA-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.53
Rot. Bonds6

About 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide

5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide (PubChem CID 133294137) has the molecular formula C15H14ClF2N3O2 and a molecular weight of 341.75 g/mol. Its IUPAC name is 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
PubChem CID133294137
Molecular FormulaC15H14ClF2N3O2
Molecular Weight341.75 g/mol
Exact Mass341.07
IUPAC Name5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1OCC(F)F
InChIInChI=1S/C15H14ClF2N3O2/c1-8-2-3-10(5-12(8)23-7-13(17)18)21-15-11(16)4-9(6-20-15)14(19)22/h2-6,13H,7H2,1H3,(H2,19,22)(H,20,21)
InChIKeyUFXVOOZMSFVYMA-UHFFFAOYSA-N
XLogP3.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
CID 133294380
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
CID 133294479
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
CID 133294464
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976913
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 122157649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide (CID 133294137) is 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide is Cc1ccc(Nc2ncc(C(N)=O)cc2Cl)cc1OCC(F)F.
What is the InChIKey of 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide?
The InChIKey is UFXVOOZMSFVYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2/c1-8-2-3-10(5-12(8)23-7-13(17)18)21-15-11(16)4-9(6-20-15)14(19)22/h2-6,13H,7H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide?
5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide is sourced from PubChem (CID 133294137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).