N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide

C14H15F3N2O6 — CID 135013184

IUPACN-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccnc(/C=C2\O[C@H](CO)[C@@H](O)[C@H]2O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O6/c1-24-7-2-3-18-6(10(7)19-13(23)14(15,16)17)4-8-11(21)12(22)9(5-20)25-8/h2-4,9,11-12,20-22H,5H2,1H3,(H,19,23)/b8-4-/t9-,11+,12-/m1/s1
InChIKeyDGSIAIBKGXZVCK-OXZPSPPRSA-N
MW364.28 g/mol
LogP0.04
Rot. Bonds4

About N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide

N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 135013184) has the molecular formula C14H15F3N2O6 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide
PubChem CID135013184
Molecular FormulaC14H15F3N2O6
Molecular Weight364.28 g/mol
Exact Mass364.09
IUPAC NameN-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccnc(/C=C2\O[C@H](CO)[C@@H](O)[C@H]2O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O6/c1-24-7-2-3-18-6(10(7)19-13(23)14(15,16)17)4-8-11(21)12(22)9(5-20)25-8/h2-4,9,11-12,20-22H,5H2,1H3,(H,19,23)/b8-4-/t9-,11+,12-/m1/s1
InChIKeyDGSIAIBKGXZVCK-OXZPSPPRSA-N
XLogP0.04
TPSA121.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide (CID 135013184) is N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide is COc1ccnc(/C=C2\O[C@H](CO)[C@@H](O)[C@H]2O)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide?
The InChIKey is DGSIAIBKGXZVCK-OXZPSPPRSA-N. The full InChI is InChI=1S/C14H15F3N2O6/c1-24-7-2-3-18-6(10(7)19-13(23)14(15,16)17)4-8-11(21)12(22)9(5-20)25-8/h2-4,9,11-12,20-22H,5H2,1H3,(H,19,23)/b8-4-/t9-,11+,12-/m1/s1.
What are the key properties of N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide?
N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide has a molecular weight of 364.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-ylidene]methyl]-4-methoxy-3-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135013184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).