N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide

C12H18FN3O — CID 115497619

IUPACN-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyLABRMDYKXSUZKP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.29
Rot. Bonds4

About N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide

N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497619) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497619
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17)
InChIKeyLABRMDYKXSUZKP-UHFFFAOYSA-N
XLogP1.29
TPSA45.23 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 62234225
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
6-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 115498038
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
N-[2-(dimethylamino)-2-methylpropyl]-2,3-difluorobenzamide
CID 62660764
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide (CID 115497619) is N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide is CN(C)C(C)(C)CNC(=O)c1cccc(F)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is LABRMDYKXSUZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-12(2,16(3)4)8-14-11(17)9-6-5-7-10(13)15-9/h5-7H,8H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide?
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 239.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).