(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide

C10H12F2N2O2 — CID 156907187

IUPAC(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)[C@H](C)OC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyXVSORZZOZIKMAO-ZETCQYMHSA-N
MW230.21 g/mol
LogP1.96
Rot. Bonds4

About (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide

(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 156907187) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID156907187
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)[C@H](C)OC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyXVSORZZOZIKMAO-ZETCQYMHSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide (CID 156907187) is (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)[C@H](C)OC(F)F.
What is the InChIKey of (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is XVSORZZOZIKMAO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide?
(2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 230.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxy)-N-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 156907187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).