N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide

C14H19FN2O — CID 55069124

IUPACN-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)C1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h7-11H,2-6H2,1H3,(H,17,18)
InChIKeyZGOALDARSYAIHR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.92
Rot. Bonds3

About N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide

N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide (PubChem CID 55069124) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
PubChem CID55069124
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1)C1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h7-11H,2-6H2,1H3,(H,17,18)
InChIKeyZGOALDARSYAIHR-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-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
2-fluoro-N-(3-hydroxybutan-2-yl)pyridine-4-carboxamide
CID 130993762
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 61499841
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide (CID 55069124) is N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is ZGOALDARSYAIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(15)9-12/h7-11H,2-6H2,1H3,(H,17,18).
What are the key properties of N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide?
N-(1-cyclohexylethyl)-2-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-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 55069124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).