2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C13H17FN2O2 — CID 114037709

IUPAC2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccnc1F
InChIInChI=1S/C13H17FN2O2/c1-16(9-10-4-7-18-8-5-10)13(17)11-3-2-6-15-12(11)14/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyYYNOLCUIBKFCMX-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.72
Rot. Bonds3

About 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 114037709) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID114037709
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cccnc1F
InChIInChI=1S/C13H17FN2O2/c1-16(9-10-4-7-18-8-5-10)13(17)11-3-2-6-15-12(11)14/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyYYNOLCUIBKFCMX-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-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63706966
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 99859349
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
2-bromo-N-(cyclobutylmethyl)-N-methylpyridine-3-carboxamide
CID 103752776
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
2-bromo-N-(cyclohexylmethyl)-N-methylpyridine-3-carboxamide
CID 103754238
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
5-amino-2,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726220
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 115878724

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 114037709) is 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is CN(CC1CCOCC1)C(=O)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YYNOLCUIBKFCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16(9-10-4-7-18-8-5-10)13(17)11-3-2-6-15-12(11)14/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-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 2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114037709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).