N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide

C14H16N2O3 — CID 133268385

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2COC[C@H]2O)cc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-16-11-5-3-2-4-9(11)6-12(16)14(18)15-10-7-19-8-13(10)17/h2-6,10,13,17H,7-8H2,1H3,(H,15,18)/t10-,13-/m1/s1
InChIKeyRCOVTXZGFUFOAQ-ZWNOBZJWSA-N
MW260.29 g/mol
LogP0.67
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide (PubChem CID 133268385) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide
PubChem CID133268385
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2COC[C@H]2O)cc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-16-11-5-3-2-4-9(11)6-12(16)14(18)15-10-7-19-8-13(10)17/h2-6,10,13,17H,7-8H2,1H3,(H,15,18)/t10-,13-/m1/s1
InChIKeyRCOVTXZGFUFOAQ-ZWNOBZJWSA-N
XLogP0.67
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-2-carboxamide
CID 91841039
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
CID 156607520
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 23510298
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
CID 10782216
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
N-methanehydrazonoyl-1-methylindole-2-carboxamide
CID 137240676
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide (CID 133268385) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@@H]2COC[C@H]2O)cc2ccccc21.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide?
The InChIKey is RCOVTXZGFUFOAQ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-11-5-3-2-4-9(11)6-12(16)14(18)15-10-7-19-8-13(10)17/h2-6,10,13,17H,7-8H2,1H3,(H,15,18)/t10-,13-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 133268385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).