N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide

C18H19N5O3 — CID 71946763

IUPACN-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCOc1ccc2[nH]c(CCNC(=O)CNC(=O)c3cnccn3)cc2c1
InChIInChI=1S/C18H19N5O3/c1-26-14-2-3-15-12(9-14)8-13(23-15)4-5-21-17(24)11-22-18(25)16-10-19-6-7-20-16/h2-3,6-10,23H,4-5,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyCBXLPFBMQDRZIT-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.06
Rot. Bonds7

About N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide

N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 71946763) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID71946763
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCOc1ccc2[nH]c(CCNC(=O)CNC(=O)c3cnccn3)cc2c1
InChIInChI=1S/C18H19N5O3/c1-26-14-2-3-15-12(9-14)8-13(23-15)4-5-21-17(24)11-22-18(25)16-10-19-6-7-20-16/h2-3,6-10,23H,4-5,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyCBXLPFBMQDRZIT-UHFFFAOYSA-N
XLogP1.06
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide (CID 71946763) is N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide is COc1ccc2[nH]c(CCNC(=O)CNC(=O)c3cnccn3)cc2c1.
What is the InChIKey of N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is CBXLPFBMQDRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-26-14-2-3-15-12(9-14)8-13(23-15)4-5-21-17(24)11-22-18(25)16-10-19-6-7-20-16/h2-3,6-10,23H,4-5,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide?
N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methoxy-1H-indol-2-yl)ethylamino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71946763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).