N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide

C14H16N2O3 — CID 113206859

IUPACN-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NC3CC3)c2cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-5-9-10(14(17)16-8-3-4-8)7-15-11(9)6-13(12)19-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyGHXYACNZIRDVCL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds4

About N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide

N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113206859) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113206859
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NC3CC3)c2cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-12-5-9-10(14(17)16-8-3-4-8)7-15-11(9)6-13(12)19-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyGHXYACNZIRDVCL-UHFFFAOYSA-N
XLogP2.08
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
2-[[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-[2-(5,6-dimethoxy-1H-indol-3-yl)-2-oxoacetyl]amino]acetic acid
CID 25185853
N-(1,1-dioxothiolan-3-yl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206751
N-[2-(cyclohexen-1-yl)ethyl]-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206869
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206980

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113206859) is N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NC3CC3)c2cc1OC.
What is the InChIKey of N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is GHXYACNZIRDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-5-9-10(14(17)16-8-3-4-8)7-15-11(9)6-13(12)19-2/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide?
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).