(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C17H20N4O5 — CID 59272881

IUPAC(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)NC1c2nc(C(=O)Nc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H20N4O5/c1-9(23)18-13-15(25)14(24)12(8-22)21-7-11(20-16(13)21)17(26)19-10-5-3-2-4-6-10/h2-7,12-15,22,24-25H,8H2,1H3,(H,18,23)(H,19,26)/t12?,13?,14-,15+/m0/s1
InChIKeyLVBUDMVWXFSTOH-PFSRBDOWSA-N
MW360.37 g/mol
LogP-0.42
Rot. Bonds4

About (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59272881) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59272881
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)NC1c2nc(C(=O)Nc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H20N4O5/c1-9(23)18-13-15(25)14(24)12(8-22)21-7-11(20-16(13)21)17(26)19-10-5-3-2-4-6-10/h2-7,12-15,22,24-25H,8H2,1H3,(H,18,23)(H,19,26)/t12?,13?,14-,15+/m0/s1
InChIKeyLVBUDMVWXFSTOH-PFSRBDOWSA-N
XLogP-0.42
TPSA136.71 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 59272881) is (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is CC(=O)NC1c2nc(C(=O)Nc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LVBUDMVWXFSTOH-PFSRBDOWSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-9(23)18-13-15(25)14(24)12(8-22)21-7-11(20-16(13)21)17(26)19-10-5-3-2-4-6-10/h2-7,12-15,22,24-25H,8H2,1H3,(H,18,23)(H,19,26)/t12?,13?,14-,15+/m0/s1.
What are the key properties of (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
(6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of -0.42, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-N-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59272881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).