N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

C19H18N2O6 — CID 39877251

IUPACN-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1OC
InChIInChI=1S/C19H18N2O6/c1-23-14-8-16(24-2)18(25-3)17-11(14)7-12(21-17)19(22)20-10-4-5-13-15(6-10)27-9-26-13/h4-8,21H,9H2,1-3H3,(H,20,22)
InChIKeyAGYJQQDBQPWOKN-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.17
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 39877251) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID39877251
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1OC
InChIInChI=1S/C19H18N2O6/c1-23-14-8-16(24-2)18(25-3)17-11(14)7-12(21-17)19(22)20-10-4-5-13-15(6-10)27-9-26-13/h4-8,21H,9H2,1-3H3,(H,20,22)
InChIKeyAGYJQQDBQPWOKN-UHFFFAOYSA-N
XLogP3.17
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
CID 45370022
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 31955158
4,6,7-trimethoxy-N-(3-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 55951801
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
CID 110863157
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 39877251) is N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3ccc4c(c3)OCO4)[nH]c2c1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is AGYJQQDBQPWOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-23-14-8-16(24-2)18(25-3)17-11(14)7-12(21-17)19(22)20-10-4-5-13-15(6-10)27-9-26-13/h4-8,21H,9H2,1-3H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 39877251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).