N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide

C14H19FN2O — CID 115645871

IUPACN-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccncc1F
InChIInChI=1S/C14H19FN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyXXUGPTKAPGJXBO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds3

About N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide

N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115645871) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
PubChem CID115645871
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccncc1F
InChIInChI=1S/C14H19FN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyXXUGPTKAPGJXBO-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443584
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
3-fluoro-N-(2-fluorooxan-3-yl)pyridine-4-carboxamide
CID 126857124
(2-ethylcyclohexyl) 3-fluoropyridine-4-carboxylate
CID 113240762
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
5-amino-2-bromo-N-(2-ethylcyclohexyl)-4-fluorobenzamide
CID 62816831
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide (CID 115645871) is N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide is CCC1CCCCC1NC(=O)c1ccncc1F.
What is the InChIKey of N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is XXUGPTKAPGJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).