N-cyclohexyl-2-fluoropyridine-4-carboxamide

C12H15FN2O — CID 59355741

IUPACN-cyclohexyl-2-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyKHNZYXUGCWNXMX-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.28
Rot. Bonds2

About N-cyclohexyl-2-fluoropyridine-4-carboxamide

N-cyclohexyl-2-fluoropyridine-4-carboxamide (PubChem CID 59355741) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoropyridine-4-carboxamide
PubChem CID59355741
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-cyclohexyl-2-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyKHNZYXUGCWNXMX-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.28
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-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
2-amino-N-cyclopentylpyridine-4-carboxamide
CID 62154850
N-cyclohexylpyridine-4-carboxamide
CID 3436730
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-fluoropyridine-4-carboxamide (CID 59355741) is N-cyclohexyl-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-fluoropyridine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(F)c1.
What is the InChIKey of N-cyclohexyl-2-fluoropyridine-4-carboxamide?
The InChIKey is KHNZYXUGCWNXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-fluoropyridine-4-carboxamide?
N-cyclohexyl-2-fluoropyridine-4-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 59355741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).