N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide

C13H16N2O4 — CID 107846667

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-5,14,16-18H,6-8H2,(H,15,19)
InChIKeyVIDMXVGTUNUGEW-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.39
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide (PubChem CID 107846667) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
PubChem CID107846667
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
SMILESO=C(NC(CO)(CO)CO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H16N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-5,14,16-18H,6-8H2,(H,15,19)
InChIKeyVIDMXVGTUNUGEW-UHFFFAOYSA-N
XLogP-0.39
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-(1-amino-2,4-dimethylpentan-2-yl)-1H-indole-5-carboxamide
CID 115309725
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide (CID 107846667) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide is O=C(NC(CO)(CO)CO)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide?
The InChIKey is VIDMXVGTUNUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-6-13(7-17,8-18)15-12(19)10-1-2-11-9(5-10)3-4-14-11/h1-5,14,16-18H,6-8H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.39, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 107846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).