2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide

C27H30F2N4O4 — CID 25056461

IUPAC2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(=O)NO)O3)c2n1
InChIInChI=1S/C27H30F2N4O4/c1-36-26-11-10-23-27(32-26)17(12-14-31-23)4-6-20-7-9-22(24(37-20)16-25(34)33-35)30-13-2-3-18-15-19(28)5-8-21(18)29/h2-3,5,8,10-12,14-15,20,22,24,30,35H,4,6-7,9,13,16H2,1H3,(H,33,34)/b3-2+/t20-,22-,24-/m1/s1
InChIKeyMTGZMXQCGUDZGU-SFOUQTLASA-N
MW512.56 g/mol
LogP3.96
Rot. Bonds10

About 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide

2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide (PubChem CID 25056461) has the molecular formula C27H30F2N4O4 and a molecular weight of 512.56 g/mol. Its IUPAC name is 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide
PubChem CID25056461
Molecular FormulaC27H30F2N4O4
Molecular Weight512.56 g/mol
Exact Mass512.22
IUPAC Name2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(=O)NO)O3)c2n1
InChIInChI=1S/C27H30F2N4O4/c1-36-26-11-10-23-27(32-26)17(12-14-31-23)4-6-20-7-9-22(24(37-20)16-25(34)33-35)30-13-2-3-18-15-19(28)5-8-21(18)29/h2-3,5,8,10-12,14-15,20,22,24,30,35H,4,6-7,9,13,16H2,1H3,(H,33,34)/b3-2+/t20-,22-,24-/m1/s1
InChIKeyMTGZMXQCGUDZGU-SFOUQTLASA-N
XLogP3.96
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide (CID 25056461) is 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide is COc1ccc2nccc(CC[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(=O)NO)O3)c2n1.
What is the InChIKey of 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide?
The InChIKey is MTGZMXQCGUDZGU-SFOUQTLASA-N. The full InChI is InChI=1S/C27H30F2N4O4/c1-36-26-11-10-23-27(32-26)17(12-14-31-23)4-6-20-7-9-22(24(37-20)16-25(34)33-35)30-13-2-3-18-15-19(28)5-8-21(18)29/h2-3,5,8,10-12,14-15,20,22,24,30,35H,4,6-7,9,13,16H2,1H3,(H,33,34)/b3-2+/t20-,22-,24-/m1/s1.
What are the key properties of 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide?
2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide has a molecular weight of 512.56 g/mol, XLogP of 3.96, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 25056461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).