2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

C26H29N5O3 — CID 67603385

IUPAC2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(CO)c4)c3=O)cc12
InChIInChI=1S/C26H29N5O3/c1-17-12-28-23-7-6-20(11-22(17)23)14-29-24(33)15-31-18(2)13-30-25(26(31)34)27-9-8-19-4-3-5-21(10-19)16-32/h3-7,10-13,28,32H,8-9,14-16H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyMXPSHMQNRCHVKP-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.80
Rot. Bonds9

About 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 67603385) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
PubChem CID67603385
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(CO)c4)c3=O)cc12
InChIInChI=1S/C26H29N5O3/c1-17-12-28-23-7-6-20(11-22(17)23)14-29-24(33)15-31-18(2)13-30-25(26(31)34)27-9-8-19-4-3-5-21(10-19)16-32/h3-7,10-13,28,32H,8-9,14-16H2,1-2H3,(H,27,30)(H,29,33)
InChIKeyMXPSHMQNRCHVKP-UHFFFAOYSA-N
XLogP2.80
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (CID 67603385) is 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NCCc4cccc(CO)c4)c3=O)cc12.
What is the InChIKey of 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is MXPSHMQNRCHVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17-12-28-23-7-6-20(11-22(17)23)14-29-24(33)15-31-18(2)13-30-25(26(31)34)27-9-8-19-4-3-5-21(10-19)16-32/h3-7,10-13,28,32H,8-9,14-16H2,1-2H3,(H,27,30)(H,29,33).
What are the key properties of 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 2.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(hydroxymethyl)phenyl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 67603385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).