1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide

C22H27N5O3 — CID 59365140

IUPAC1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(N3CCNCC3)nc2)cc2c(OC)c(OC)ccc21
InChIInChI=1S/C22H27N5O3/c1-4-27-17-6-7-19(29-2)21(30-3)16(17)13-18(27)22(28)25-15-5-8-20(24-14-15)26-11-9-23-10-12-26/h5-8,13-14,23H,4,9-12H2,1-3H3,(H,25,28)
InChIKeyPYHYEXWNBVDQBP-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.74
Rot. Bonds6

About 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide

1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide (PubChem CID 59365140) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide
PubChem CID59365140
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(N3CCNCC3)nc2)cc2c(OC)c(OC)ccc21
InChIInChI=1S/C22H27N5O3/c1-4-27-17-6-7-19(29-2)21(30-3)16(17)13-18(27)22(28)25-15-5-8-20(24-14-15)26-11-9-23-10-12-26/h5-8,13-14,23H,4,9-12H2,1-3H3,(H,25,28)
InChIKeyPYHYEXWNBVDQBP-UHFFFAOYSA-N
XLogP2.74
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide (CID 59365140) is 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide is CCn1c(C(=O)Nc2ccc(N3CCNCC3)nc2)cc2c(OC)c(OC)ccc21.
What is the InChIKey of 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide?
The InChIKey is PYHYEXWNBVDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-4-27-17-6-7-19(29-2)21(30-3)16(17)13-18(27)22(28)25-15-5-8-20(24-14-15)26-11-9-23-10-12-26/h5-8,13-14,23H,4,9-12H2,1-3H3,(H,25,28).
What are the key properties of 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide?
1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethoxy-N-(6-piperazin-1-yl-3-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 59365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).