N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide

C13H17FN2O — CID 115645270

IUPACN-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1F)C1CCCCC1
InChIInChI=1S/C13H17FN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h7-10H,2-6H2,1H3
InChIKeyPEPGCQFTBLIGCO-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.63
Rot. Bonds2

About N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide

N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 115645270) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID115645270
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1F)C1CCCCC1
InChIInChI=1S/C13H17FN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h7-10H,2-6H2,1H3
InChIKeyPEPGCQFTBLIGCO-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 115645768
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115646013
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 134161459
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide (CID 115645270) is N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is PEPGCQFTBLIGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(10-5-3-2-4-6-10)13(17)11-7-8-15-9-12(11)14/h7-10H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide?
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115645270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).