N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide

C14H19FN2O — CID 90349705

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H19FN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-16-13(15)8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18)/t9-,10+,12+/m1/s1
InChIKeyRXTIBAJZELLNBT-SCVCMEIPSA-N
MW250.32 g/mol
LogP2.78
Rot. Bonds2

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide (PubChem CID 90349705) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
PubChem CID90349705
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H19FN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-16-13(15)8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18)/t9-,10+,12+/m1/s1
InChIKeyRXTIBAJZELLNBT-SCVCMEIPSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.78
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-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
CID 123635888
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-(2,3-dimethylcyclohexyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387958
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide (CID 90349705) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is RXTIBAJZELLNBT-SCVCMEIPSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-4-3-5-12(10(9)2)17-14(18)11-6-7-16-13(15)8-11/h6-10,12H,3-5H2,1-2H3,(H,17,18)/t9-,10+,12+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 90349705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).