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

C14H19FN2O — CID 115646195

IUPACN-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccncc2F)C1
InChIInChI=1S/C14H19FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyOJVOYIINQJVXEZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds3

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

N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide (PubChem CID 115646195) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
PubChem CID115646195
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccncc2F)C1
InChIInChI=1S/C14H19FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,2-5,8H2,1H3,(H,17,18)
InChIKeyOJVOYIINQJVXEZ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide (CID 115646195) is N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide is CCC1CCCC(NC(=O)c2ccncc2F)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is OJVOYIINQJVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-10-4-3-5-11(8-10)17-14(18)12-6-7-16-9-13(12)15/h6-7,9-11H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide?
N-(3-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-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).