N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide

C13H18FN3O — CID 104637892

IUPACN-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18FN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyZNHXKVJCIRKUID-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.56
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide

N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 104637892) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID104637892
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(F)cn1)C1CCC(N)CC1
InChIInChI=1S/C13H18FN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3
InChIKeyZNHXKVJCIRKUID-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
CID 79121873
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 81318919
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104637940
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide (CID 104637892) is N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(F)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is ZNHXKVJCIRKUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-17(11-5-3-10(15)4-6-11)13(18)12-7-2-9(14)8-16-12/h2,7-8,10-11H,3-6,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide?
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104637892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).