(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide

C16H17F2N3O2 — CID 56749534

IUPAC(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O2/c1-10(19-2)15(22)21-9-11-4-3-7-20-16(11)23-14-6-5-12(17)8-13(14)18/h3-8,10,19H,9H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyCLGFKKNRRTVDHS-JTQLQIEISA-N
MW321.33 g/mol
LogP2.38
Rot. Bonds6

About (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide

(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide (PubChem CID 56749534) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide
PubChem CID56749534
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O2/c1-10(19-2)15(22)21-9-11-4-3-7-20-16(11)23-14-6-5-12(17)8-13(14)18/h3-8,10,19H,9H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyCLGFKKNRRTVDHS-JTQLQIEISA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
(E)-3-(2,5-difluorophenyl)-N-[(1S)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 10339721
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454346
2-[[4-Hydroxy-6-oxo-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73050969
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
N-[2-(2,4-difluorophenoxy)pyridin-3-yl]-2-methylacrylamide
CID 2800710
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide (CID 56749534) is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide?
The InChIKey is CLGFKKNRRTVDHS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10(19-2)15(22)21-9-11-4-3-7-20-16(11)23-14-6-5-12(17)8-13(14)18/h3-8,10,19H,9H2,1-2H3,(H,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide?
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide has a molecular weight of 321.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)propanamide is sourced from PubChem (CID 56749534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).