6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide

C14H21FN2O — CID 102904926

IUPAC6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cccc(F)n1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)11(10(3)4)8-16-14(18)12-6-5-7-13(15)17-12/h5-7,9-11H,8H2,1-4H3,(H,16,18)
InChIKeyLBWZRMZATFNASH-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.88
Rot. Bonds5

About 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide

6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide (PubChem CID 102904926) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
PubChem CID102904926
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cccc(F)n1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)11(10(3)4)8-16-14(18)12-6-5-7-13(15)17-12/h5-7,9-11H,8H2,1-4H3,(H,16,18)
InChIKeyLBWZRMZATFNASH-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115869324
N-(3-amino-2-hydroxy-3-oxopropyl)-6-fluoropyridine-2-carboxamide
CID 106166087
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide (CID 102904926) is 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide is CC(C)C(CNC(=O)c1cccc(F)n1)C(C)C.
What is the InChIKey of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide?
The InChIKey is LBWZRMZATFNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)11(10(3)4)8-16-14(18)12-6-5-7-13(15)17-12/h5-7,9-11H,8H2,1-4H3,(H,16,18).
What are the key properties of 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide?
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide has a molecular weight of 252.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 102904926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).