N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide

C11H15F2N3O2 — CID 120705557

IUPACN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1cccnc1OCC(F)F
InChIInChI=1S/C11H15F2N3O2/c1-14-6-10(17)16-5-8-3-2-4-15-11(8)18-7-9(12)13/h2-4,9,14H,5-7H2,1H3,(H,16,17)
InChIKeyNGQUZXQBZYEBHM-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.56
Rot. Bonds7

About N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide

N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide (PubChem CID 120705557) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
PubChem CID120705557
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1cccnc1OCC(F)F
InChIInChI=1S/C11H15F2N3O2/c1-14-6-10(17)16-5-8-3-2-4-15-11(8)18-7-9(12)13/h2-4,9,14H,5-7H2,1H3,(H,16,17)
InChIKeyNGQUZXQBZYEBHM-UHFFFAOYSA-N
XLogP0.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 167886364
1-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100690740
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
CID 75436410
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
1-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]urea
CID 126777375
ethyl 4-[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163542

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide (CID 120705557) is N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1cccnc1OCC(F)F.
What is the InChIKey of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide?
The InChIKey is NGQUZXQBZYEBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-14-6-10(17)16-5-8-3-2-4-15-11(8)18-7-9(12)13/h2-4,9,14H,5-7H2,1H3,(H,16,17).
What are the key properties of N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide?
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide has a molecular weight of 259.26 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).