2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide

C27H28F2N4O3 — CID 24784411

IUPAC2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(N)=O)O3)c2n1
InChIInChI=1S/C27H28F2N4O3/c1-35-26-11-10-23-27(33-26)17(12-14-32-23)4-6-20-7-9-22(24(36-20)16-25(30)34)31-13-2-3-18-15-19(28)5-8-21(18)29/h2-6,8,10-12,14-15,20,22,24,31H,7,9,13,16H2,1H3,(H2,30,34)/b3-2+,6-4+/t20-,22-,24-/m1/s1
InChIKeyZRKNVPBZJVXEMI-GFBCROQTSA-N
MW494.54 g/mol
LogP4.02
Rot. Bonds9

About 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide

2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide (PubChem CID 24784411) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide
PubChem CID24784411
Molecular FormulaC27H28F2N4O3
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC Name2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide
SMILESCOc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(N)=O)O3)c2n1
InChIInChI=1S/C27H28F2N4O3/c1-35-26-11-10-23-27(33-26)17(12-14-32-23)4-6-20-7-9-22(24(36-20)16-25(30)34)31-13-2-3-18-15-19(28)5-8-21(18)29/h2-6,8,10-12,14-15,20,22,24,31H,7,9,13,16H2,1H3,(H2,30,34)/b3-2+,6-4+/t20-,22-,24-/m1/s1
InChIKeyZRKNVPBZJVXEMI-GFBCROQTSA-N
XLogP4.02
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide?
The IUPAC name of 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide (CID 24784411) is 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide?
The canonical SMILES for 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide is COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)[C@@H](CC(N)=O)O3)c2n1.
What is the InChIKey of 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide?
The InChIKey is ZRKNVPBZJVXEMI-GFBCROQTSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-35-26-11-10-23-27(33-26)17(12-14-32-23)4-6-20-7-9-22(24(36-20)16-25(30)34)31-13-2-3-18-15-19(28)5-8-21(18)29/h2-6,8,10-12,14-15,20,22,24,31H,7,9,13,16H2,1H3,(H2,30,34)/b3-2+,6-4+/t20-,22-,24-/m1/s1.
What are the key properties of 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide?
2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide has a molecular weight of 494.54 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]acetamide is sourced from PubChem (CID 24784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).