4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide

C20H23N3O4 — CID 113206750

IUPAC4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)N(C)CCc3ccncc3)c2c(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-23(10-7-13-5-8-21-9-6-13)20(24)14-12-22-15-11-16(25-2)18(26-3)19(27-4)17(14)15/h5-6,8-9,11-12,22H,7,10H2,1-4H3
InChIKeyVPSVWXHVCCSNQJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.90
Rot. Bonds7

About 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide

4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide (PubChem CID 113206750) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
PubChem CID113206750
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)N(C)CCc3ccncc3)c2c(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-23(10-7-13-5-8-21-9-6-13)20(24)14-12-22-15-11-16(25-2)18(26-3)19(27-4)17(14)15/h5-6,8-9,11-12,22H,7,10H2,1-4H3
InChIKeyVPSVWXHVCCSNQJ-UHFFFAOYSA-N
XLogP2.90
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206552
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762978
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60571717
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
1-(5-methoxy-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 113210773
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide (CID 113206750) is 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)N(C)CCc3ccncc3)c2c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is VPSVWXHVCCSNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23(10-7-13-5-8-21-9-6-13)20(24)14-12-22-15-11-16(25-2)18(26-3)19(27-4)17(14)15/h5-6,8-9,11-12,22H,7,10H2,1-4H3.
What are the key properties of 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide?
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).