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

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Related Compounds

Atevirdine
CID 60848
Atevirdine Mesylate
CID 60847
Tasurgratinib
CID 78323434
1-((5-(Methylsulfonyloxy)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454728
Piperazine, 1-((5-hydroxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453385
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-((5-hydroxy-1H-indol-2-yl)carbonyl)-
CID 454723
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
6-(2-hydroxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 90367910
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368174
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
CID 453392

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).