2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide

C14H14FN3O — CID 686880

IUPAC2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyJKMUMPFNDLQXDF-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide

2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 686880) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID686880
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,19)(H,17,18)
InChIKeyJKMUMPFNDLQXDF-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
CID 94005
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide (CID 686880) is 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is JKMUMPFNDLQXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-7-9(2)17-14(12(8)13(16)19)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 686880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).