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

C14H19FN2O — CID 114037667

IUPACN-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cccnc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,2,5-8H2,1H3,(H,17,18)
InChIKeyUUQSSIPQNYDCKN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds3

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

N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide (PubChem CID 114037667) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
PubChem CID114037667
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cccnc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-2-10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,2,5-8H2,1H3,(H,17,18)
InChIKeyUUQSSIPQNYDCKN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
N-(2,3-dihydro-1H-inden-2-yl)-2-fluoropyridine-3-carboxamide
CID 114037815
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide (CID 114037667) is N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide is CCC1CCC(NC(=O)c2cccnc2F)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is UUQSSIPQNYDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)15/h3-4,9-11H,2,5-8H2,1H3,(H,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide?
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-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-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114037667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).