N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H18F3N3O4 — CID 95156000

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H](C)C(N)=O
InChIInChI=1S/C14H18F3N3O4/c1-9(12(18)21)20(5-6-23-2)13(22)10-3-4-11(19-7-10)24-8-14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,21)/t9-/m0/s1
InChIKeyOHVSYKVEIXRNPG-VIFPVBQESA-N
MW349.31 g/mol
LogP0.99
Rot. Bonds8

About N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 95156000) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID95156000
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H](C)C(N)=O
InChIInChI=1S/C14H18F3N3O4/c1-9(12(18)21)20(5-6-23-2)13(22)10-3-4-11(19-7-10)24-8-14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,21)/t9-/m0/s1
InChIKeyOHVSYKVEIXRNPG-VIFPVBQESA-N
XLogP0.99
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
N-(1-amino-1-oxopropan-2-yl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 56781401
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
(2-amino-2-oxoethyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696653
6-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62187168
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696945
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 26029790
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42933993
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 82960384
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
CID 120519325

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 95156000) is N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H](C)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is OHVSYKVEIXRNPG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-9(12(18)21)20(5-6-23-2)13(22)10-3-4-11(19-7-10)24-8-14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,21)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-methoxyethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 95156000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).