5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide

C12H14BrF2N3O — CID 146525770

IUPAC5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(N)=O)cc1Br
InChIInChI=1S/C12H14BrF2N3O/c1-7-9(13)6-8(10(16)19)11(17-7)18-4-2-12(14,15)3-5-18/h6H,2-5H2,1H3,(H2,16,19)
InChIKeyVWHJSXRNAQUMHR-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide

5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide (PubChem CID 146525770) has the molecular formula C12H14BrF2N3O and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
PubChem CID146525770
Molecular FormulaC12H14BrF2N3O
Molecular Weight334.16 g/mol
Exact Mass333.03
IUPAC Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(N)=O)cc1Br
InChIInChI=1S/C12H14BrF2N3O/c1-7-9(13)6-8(10(16)19)11(17-7)18-4-2-12(14,15)3-5-18/h6H,2-5H2,1H3,(H2,16,19)
InChIKeyVWHJSXRNAQUMHR-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
CID 146525962
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 169123805
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
CID 167713490
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
CID 86283097
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
4-[[5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carbonyl]-[[5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carbonyl]amino]amino]-N,N-bis[(2,4-dimethoxyphenyl)methyl]pyridine-2-sulfonamide
CID 167313541
2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
CID 162705309

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide (CID 146525770) is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide is Cc1nc(N2CCC(F)(F)CC2)c(C(N)=O)cc1Br.
What is the InChIKey of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is VWHJSXRNAQUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N3O/c1-7-9(13)6-8(10(16)19)11(17-7)18-4-2-12(14,15)3-5-18/h6H,2-5H2,1H3,(H2,16,19).
What are the key properties of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide?
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 146525770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).