6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C13H17FN2O2 — CID 113323608

IUPAC6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c1-16(9-10-5-7-18-8-6-10)13(17)11-3-2-4-12(14)15-11/h2-4,10H,5-9H2,1H3
InChIKeyVYFWPVALFYBADK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.72
Rot. Bonds3

About 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 113323608) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID113323608
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O2/c1-16(9-10-5-7-18-8-6-10)13(17)11-3-2-4-12(14)15-11/h2-4,10H,5-9H2,1H3
InChIKeyVYFWPVALFYBADK-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(methylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63707262
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703
N-(cyclopropylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62238964
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63707773
5-cyano-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63770699
oxan-4-yl 6-fluoropyridine-2-carboxylate
CID 115498876
N-(cyclopropylmethyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236607

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 113323608) is 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is CN(CC1CCOCC1)C(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VYFWPVALFYBADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16(9-10-5-7-18-8-6-10)13(17)11-3-2-4-12(14)15-11/h2-4,10H,5-9H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113323608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).