3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide

C14H19FN2O — CID 115645768

IUPAC3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccncc2F)C1
InChIInChI=1S/C14H19FN2O/c1-10-4-3-5-11(8-10)17(2)14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyMVUNNTSBJFYPLP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.87
Rot. Bonds2

About 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide

3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 115645768) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID115645768
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCC(N(C)C(=O)c2ccncc2F)C1
InChIInChI=1S/C14H19FN2O/c1-10-4-3-5-11(8-10)17(2)14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyMVUNNTSBJFYPLP-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62661130
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
4-fluoro-N-methyl-N-(3-methylcyclohexyl)-3-sulfanylbenzamide
CID 107024734
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 134161459
cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide (CID 115645768) is 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCC(N(C)C(=O)c2ccncc2F)C1.
What is the InChIKey of 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is MVUNNTSBJFYPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-3-5-11(8-10)17(2)14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide?
3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).