6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide

C10H13FN2O — CID 176965081

IUPAC6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)nc1F
InChIInChI=1S/C10H13FN2O/c1-6(2)12-10(14)8-5-4-7(3)9(11)13-8/h4-6H,1-3H3,(H,12,14)
InChIKeyHKHGNVHFDFEIRJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.67
Rot. Bonds2

About 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide

6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 176965081) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
PubChem CID176965081
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)C)nc1F
InChIInChI=1S/C10H13FN2O/c1-6(2)12-10(14)8-5-4-7(3)9(11)13-8/h4-6H,1-3H3,(H,12,14)
InChIKeyHKHGNVHFDFEIRJ-UHFFFAOYSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.67
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

2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
[2-methyl-6-(propan-2-ylcarbamoyl)-3-pyridinyl]oxyboronic acid
CID 131749020
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
2-fluoro-3,4-dimethyl-N-propan-2-ylbenzamide
CID 130223984
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
6-N-propan-2-yl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109093718
2-N-[2-(4-fluorophenyl)ethyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093654
ethane;5-methyl-N-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 171564740
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide (CID 176965081) is 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide is Cc1ccc(C(=O)NC(C)C)nc1F.
What is the InChIKey of 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is HKHGNVHFDFEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6(2)12-10(14)8-5-4-7(3)9(11)13-8/h4-6H,1-3H3,(H,12,14).
What are the key properties of 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide?
6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 196.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 176965081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).