N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide

C18H26N6O2 — CID 54474463

IUPACN-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)C)c2=O)c(N)nc1C
InChIInChI=1S/C18H26N6O2/c1-10-8-21-16(23-18(4,5)6)17(26)24(10)14-7-13(9-20-12(3)25)11(2)22-15(14)19/h7-8H,9H2,1-6H3,(H2,19,22)(H,20,25)(H,21,23)
InChIKeyXKOKJJUBUOXYHU-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.67
Rot. Bonds4

About N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide

N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide (PubChem CID 54474463) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
PubChem CID54474463
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)C)c2=O)c(N)nc1C
InChIInChI=1S/C18H26N6O2/c1-10-8-21-16(23-18(4,5)6)17(26)24(10)14-7-13(9-20-12(3)25)11(2)22-15(14)19/h7-8H,9H2,1-6H3,(H2,19,22)(H,20,25)(H,21,23)
InChIKeyXKOKJJUBUOXYHU-UHFFFAOYSA-N
XLogP1.67
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide (CID 54474463) is N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(-n2c(C)cnc(NC(C)(C)C)c2=O)c(N)nc1C.
What is the InChIKey of N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The InChIKey is XKOKJJUBUOXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-10-8-21-16(23-18(4,5)6)17(26)24(10)14-7-13(9-20-12(3)25)11(2)22-15(14)19/h7-8H,9H2,1-6H3,(H2,19,22)(H,20,25)(H,21,23).
What are the key properties of N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-5-[3-(tert-butylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 54474463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).