6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C21H25N5O — CID 56917221

IUPAC6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCn1ccc2ccc(CN3CCN(c4ccc(C(N)=O)cn4)CC3)cc21
InChIInChI=1S/C21H25N5O/c1-2-25-8-7-17-4-3-16(13-19(17)25)15-24-9-11-26(12-10-24)20-6-5-18(14-23-20)21(22)27/h3-8,13-14H,2,9-12,15H2,1H3,(H2,22,27)
InChIKeyMGIKIKZFJLFJOO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.48
Rot. Bonds5

About 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 56917221) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID56917221
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCn1ccc2ccc(CN3CCN(c4ccc(C(N)=O)cn4)CC3)cc21
InChIInChI=1S/C21H25N5O/c1-2-25-8-7-17-4-3-16(13-19(17)25)15-24-9-11-26(12-10-24)20-6-5-18(14-23-20)21(22)27/h3-8,13-14H,2,9-12,15H2,1H3,(H2,22,27)
InChIKeyMGIKIKZFJLFJOO-UHFFFAOYSA-N
XLogP2.48
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 56917221) is 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is CCn1ccc2ccc(CN3CCN(c4ccc(C(N)=O)cn4)CC3)cc21.
What is the InChIKey of 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is MGIKIKZFJLFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-25-8-7-17-4-3-16(13-19(17)25)15-24-9-11-26(12-10-24)20-6-5-18(14-23-20)21(22)27/h3-8,13-14H,2,9-12,15H2,1H3,(H2,22,27).
What are the key properties of 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-ethylindol-6-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56917221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).