N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide

C15H21FN2O — CID 123635888

IUPACN-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccnc(F)c2)C1C
InChIInChI=1S/C15H21FN2O/c1-3-11-5-4-6-13(10(11)2)18-15(19)12-7-8-17-14(16)9-12/h7-11,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyTVIVWRQSGRFKGM-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.17
Rot. Bonds3

About N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide

N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide (PubChem CID 123635888) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
PubChem CID123635888
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccnc(F)c2)C1C
InChIInChI=1S/C15H21FN2O/c1-3-11-5-4-6-13(10(11)2)18-15(19)12-7-8-17-14(16)9-12/h7-11,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyTVIVWRQSGRFKGM-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.17
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,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
4-chloro-N-(3-ethyl-2-methylcyclopentyl)pyridine-2-carboxamide
CID 64922354
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide (CID 123635888) is N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide is CCC1CCCC(NC(=O)c2ccnc(F)c2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is TVIVWRQSGRFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-11-5-4-6-13(10(11)2)18-15(19)12-7-8-17-14(16)9-12/h7-11,13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide?
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 123635888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).