N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide

C13H22N4O2 — CID 133442339

IUPACN-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide
SMILESCC(C)NC(=O)CCNc1nccnc1OC(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17-11(18)5-6-14-12-13(19-10(3)4)16-8-7-15-12/h7-10H,5-6H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyYNFGHRNGDWQWEZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.59
Rot. Bonds7

About N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide

N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide (PubChem CID 133442339) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide
PubChem CID133442339
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide
SMILESCC(C)NC(=O)CCNc1nccnc1OC(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17-11(18)5-6-14-12-13(19-10(3)4)16-8-7-15-12/h7-10H,5-6H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyYNFGHRNGDWQWEZ-UHFFFAOYSA-N
XLogP1.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide?
The IUPAC name of N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide (CID 133442339) is N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide is CC(C)NC(=O)CCNc1nccnc1OC(C)C.
What is the InChIKey of N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide?
The InChIKey is YNFGHRNGDWQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17-11(18)5-6-14-12-13(19-10(3)4)16-8-7-15-12/h7-10H,5-6H2,1-4H3,(H,14,15)(H,17,18).
What are the key properties of N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide?
N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(3-propan-2-yloxypyrazin-2-yl)amino]propanamide is sourced from PubChem (CID 133442339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).