(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide

C12H15F3N4O3 — CID 94641374

IUPAC(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N4O3/c1-7(10(20)19-11(21)16-2)18-8-3-4-9(17-5-8)22-6-12(13,14)15/h3-5,7,18H,6H2,1-2H3,(H2,16,19,20,21)/t7-/m1/s1
InChIKeyMSMKJPVCUDFSQV-SSDOTTSWSA-N
MW320.27 g/mol
LogP1.28
Rot. Bonds5

About (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide

(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 94641374) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
PubChem CID94641374
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC Name(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N4O3/c1-7(10(20)19-11(21)16-2)18-8-3-4-9(17-5-8)22-6-12(13,14)15/h3-5,7,18H,6H2,1-2H3,(H2,16,19,20,21)/t7-/m1/s1
InChIKeyMSMKJPVCUDFSQV-SSDOTTSWSA-N
XLogP1.28
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-carbamoyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]amino]propanamide
CID 95322424
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
(2R)-N-(ethylcarbamoyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 28888999
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
2-[(6-methoxy-3-pyridinyl)amino]-N-(propan-2-ylcarbamoyl)propanamide
CID 47023248
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide (CID 94641374) is (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide is CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is MSMKJPVCUDFSQV-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15F3N4O3/c1-7(10(20)19-11(21)16-2)18-8-3-4-9(17-5-8)22-6-12(13,14)15/h3-5,7,18H,6H2,1-2H3,(H2,16,19,20,21)/t7-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide?
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 320.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 94641374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).