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

C13H17FN2O2 — CID 61435800

IUPAC2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-16(9-11-4-2-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyUXUAVPHYVDKUEK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.86
Rot. Bonds3

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

2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 61435800) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID61435800
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-16(9-11-4-2-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyUXUAVPHYVDKUEK-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 86782770
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 95550396
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 61435800) is 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCCO1)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UXUAVPHYVDKUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16(9-11-4-2-3-7-18-11)13(17)10-5-6-15-12(14)8-10/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.86, 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-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 61435800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).