N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide

C12H18FN3O — CID 79652581

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccncc1F
InChIInChI=1S/C12H18FN3O/c1-12(2,7-14)8-16(3)11(17)9-4-5-15-6-10(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyJJFNADOZSOKDEC-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.28
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 79652581) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID79652581
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccncc1F
InChIInChI=1S/C12H18FN3O/c1-12(2,7-14)8-16(3)11(17)9-4-5-15-6-10(9)13/h4-6H,7-8,14H2,1-3H3
InChIKeyJJFNADOZSOKDEC-UHFFFAOYSA-N
XLogP1.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 105416291

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 79652581) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1ccncc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is JJFNADOZSOKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,7-14)8-16(3)11(17)9-4-5-15-6-10(9)13/h4-6H,7-8,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 79652581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).