5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C22H27N5O — CID 109285624

IUPAC5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C22H27N5O/c28-22(23-12-11-16-13-24-19-10-6-5-9-18(16)19)20-14-26-21(15-25-20)27-17-7-3-1-2-4-8-17/h5-6,9-10,13-15,17,24H,1-4,7-8,11-12H2,(H,23,28)(H,26,27)
InChIKeyLTDORFPBOQYFRN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.07
Rot. Bonds6

About 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 109285624) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID109285624
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CCCCCC2)cn1
InChIInChI=1S/C22H27N5O/c28-22(23-12-11-16-13-24-19-10-6-5-9-18(16)19)20-14-26-21(15-25-20)27-17-7-3-1-2-4-8-17/h5-6,9-10,13-15,17,24H,1-4,7-8,11-12H2,(H,23,28)(H,26,27)
InChIKeyLTDORFPBOQYFRN-UHFFFAOYSA-N
XLogP4.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
N-[2-(1H-indol-3-yl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285636
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 109285624) is 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is LTDORFPBOQYFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22(23-12-11-16-13-24-19-10-6-5-9-18(16)19)20-14-26-21(15-25-20)27-17-7-3-1-2-4-8-17/h5-6,9-10,13-15,17,24H,1-4,7-8,11-12H2,(H,23,28)(H,26,27).
What are the key properties of 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109285624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).