3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide

C12H16F2N2O2 — CID 154832252

IUPAC3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide
SMILESCc1cccc(CONC(=O)C(C)(C)C(F)F)n1
InChIInChI=1S/C12H16F2N2O2/c1-8-5-4-6-9(15-8)7-18-16-11(17)12(2,3)10(13)14/h4-6,10H,7H2,1-3H3,(H,16,17)
InChIKeyKKTKRLDCONADEI-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.23
Rot. Bonds5

About 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide

3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide (PubChem CID 154832252) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide
PubChem CID154832252
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide
SMILESCc1cccc(CONC(=O)C(C)(C)C(F)F)n1
InChIInChI=1S/C12H16F2N2O2/c1-8-5-4-6-9(15-8)7-18-16-11(17)12(2,3)10(13)14/h4-6,10H,7H2,1-3H3,(H,16,17)
InChIKeyKKTKRLDCONADEI-UHFFFAOYSA-N
XLogP2.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Trifluoro-methanesulfinic acid 6-methyl-pyridin-2-ylmethyl ester
CID 12957997
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
2-(Methoxymethyl)-6-(trifluoromethyl)pyridine
CID 70372868
tert-butyl N-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]carbamate
CID 87480972
2-(Difluoromethyl)-6-(methoxymethyl)pyridine
CID 89183605
Ethyl 6-(trifluoromethyl)picolinimidate
CID 89853792
[6-(Trifluoromethyl)-2-pyridinyl]methyl hypofluorite
CID 132078005
[6-(Trifluoromethyl)-2-pyridinyl]methoxycarbamic acid
CID 140195302
2-(Difluoromethoxymethyl)-6-methylpyridine
CID 149711147
Tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane
CID 163224448
Butane;[6-(trifluoromethyl)-2-pyridinyl]methanol
CID 177205838
(6-methyl-2-pyridinyl)methyl (S)-trifluoromethanesulfinate
CID 125503964

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide (CID 154832252) is 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide is Cc1cccc(CONC(=O)C(C)(C)C(F)F)n1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide?
The InChIKey is KKTKRLDCONADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8-5-4-6-9(15-8)7-18-16-11(17)12(2,3)10(13)14/h4-6,10H,7H2,1-3H3,(H,16,17).
What are the key properties of 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide?
3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide has a molecular weight of 258.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]propanamide is sourced from PubChem (CID 154832252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).