N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide

C16H20N2O5 — CID 155553382

IUPACN-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H20N2O5/c1-8-13(19)15(21)14(20)12(23-8)7-17-16(22)11-6-9-4-2-3-5-10(9)18-11/h2-6,8,12-15,18-21H,7H2,1H3,(H,17,22)/t8-,12+,13+,14+,15+/m0/s1
InChIKeyKPCQZLWURRVPIM-LMYWXWJPSA-N
MW320.35 g/mol
LogP-0.23
Rot. Bonds3

About N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide

N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 155553382) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID155553382
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC NameN-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESC[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H20N2O5/c1-8-13(19)15(21)14(20)12(23-8)7-17-16(22)11-6-9-4-2-3-5-10(9)18-11/h2-6,8,12-15,18-21H,7H2,1H3,(H,17,22)/t8-,12+,13+,14+,15+/m0/s1
InChIKeyKPCQZLWURRVPIM-LMYWXWJPSA-N
XLogP-0.23
TPSA114.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide (CID 155553382) is N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide is C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is KPCQZLWURRVPIM-LMYWXWJPSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-8-13(19)15(21)14(20)12(23-8)7-17-16(22)11-6-9-4-2-3-5-10(9)18-11/h2-6,8,12-15,18-21H,7H2,1H3,(H,17,22)/t8-,12+,13+,14+,15+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide?
N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of -0.23, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155553382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).