3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide

C21H33N5O2 — CID 168930901

IUPAC3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)NCCN3CCN(C)CC3)c2c1
InChIInChI=1S/C21H33N5O2/c1-23(2)9-7-17-16-26(20-15-18(28-4)5-6-19(17)20)21(27)22-8-10-25-13-11-24(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3,(H,22,27)
InChIKeyRTFDWNUGYFCWNA-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.56
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide

3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide (PubChem CID 168930901) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
PubChem CID168930901
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)NCCN3CCN(C)CC3)c2c1
InChIInChI=1S/C21H33N5O2/c1-23(2)9-7-17-16-26(20-15-18(28-4)5-6-19(17)20)21(27)22-8-10-25-13-11-24(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3,(H,22,27)
InChIKeyRTFDWNUGYFCWNA-UHFFFAOYSA-N
XLogP1.56
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azetidin-1-yl)ethyl]-3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxamide
CID 166467250
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
CID 168931076
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
2-(4-methylpiperazin-1-yl)ethyl 3-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]sulfanyloxy-2,2-dimethylpropanoate
CID 168931020
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 168931025
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
(2-methylpropan-2-yl)oxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931262
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(1-ethyl-4H-pyridin-3-yl)methanone
CID 168930990
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide (CID 168930901) is 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide is COc1ccc2c(CCN(C)C)cn(C(=O)NCCN3CCN(C)CC3)c2c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide?
The InChIKey is RTFDWNUGYFCWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-23(2)9-7-17-16-26(20-15-18(28-4)5-6-19(17)20)21(27)22-8-10-25-13-11-24(3)12-14-25/h5-6,15-16H,7-14H2,1-4H3,(H,22,27).
What are the key properties of 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide?
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide is sourced from PubChem (CID 168930901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).