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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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).