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

C21H30N6O2 — CID 54529378

IUPACN-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NCCC3CCCC3)c2=O)c(N)nc1C
InChIInChI=1S/C21H30N6O2/c1-13-11-25-20(23-9-8-16-6-4-5-7-16)21(29)27(13)18-10-17(12-24-15(3)28)14(2)26-19(18)22/h10-11,16H,4-9,12H2,1-3H3,(H2,22,26)(H,23,25)(H,24,28)
InChIKeyYVKOAQWENMXZOL-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.45
Rot. Bonds7

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

N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide (PubChem CID 54529378) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
PubChem CID54529378
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-n2c(C)cnc(NCCC3CCCC3)c2=O)c(N)nc1C
InChIInChI=1S/C21H30N6O2/c1-13-11-25-20(23-9-8-16-6-4-5-7-16)21(29)27(13)18-10-17(12-24-15(3)28)14(2)26-19(18)22/h10-11,16H,4-9,12H2,1-3H3,(H2,22,26)(H,23,25)(H,24,28)
InChIKeyYVKOAQWENMXZOL-UHFFFAOYSA-N
XLogP2.45
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.45
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-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide (CID 54529378) is N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(-n2c(C)cnc(NCCC3CCCC3)c2=O)c(N)nc1C.
What is the InChIKey of N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
The InChIKey is YVKOAQWENMXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-13-11-25-20(23-9-8-16-6-4-5-7-16)21(29)27(13)18-10-17(12-24-15(3)28)14(2)26-19(18)22/h10-11,16H,4-9,12H2,1-3H3,(H2,22,26)(H,23,25)(H,24,28).
What are the key properties of N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide?
N-[[6-amino-5-[3-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.45, 7 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-(2-cyclopentylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 54529378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).