N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide

C14H20FN3O — CID 104639305

IUPACN-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCCCC1CN
InChIInChI=1S/C14H20FN3O/c1-18(13-5-3-2-4-10(13)8-16)14(19)12-7-6-11(15)9-17-12/h6-7,9-10,13H,2-5,8,16H2,1H3
InChIKeyWWMVNMWENLLVBN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.81
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 104639305) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID104639305
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCCCC1CN
InChIInChI=1S/C14H20FN3O/c1-18(13-5-3-2-4-10(13)8-16)14(19)12-7-6-11(15)9-17-12/h6-7,9-10,13H,2-5,8,16H2,1H3
InChIKeyWWMVNMWENLLVBN-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 114031291
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723801
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62952665

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide (CID 104639305) is N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(F)cn1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is WWMVNMWENLLVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(13-5-3-2-4-10(13)8-16)14(19)12-7-6-11(15)9-17-12/h6-7,9-10,13H,2-5,8,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104639305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).