2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide

C14H19FN2O — CID 55011733

IUPAC2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCCC1CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H19FN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18)
InChIKeyGQRMRQHOYDHLRK-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.78
Rot. Bonds3

About 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide

2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 55011733) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID55011733
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCCC1CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C14H19FN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18)
InChIKeyGQRMRQHOYDHLRK-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
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-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
CID 123635888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide (CID 55011733) is 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide is CC1CCCCC1CNC(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is GQRMRQHOYDHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-2-3-5-12(10)9-17-14(18)11-6-7-16-13(15)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide?
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 55011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).