N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide

C11H18N4O — CID 60964838

IUPACN-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
SMILESCCC(C)NC(=O)CCNc1cnccn1
InChIInChI=1S/C11H18N4O/c1-3-9(2)15-11(16)4-5-13-10-8-12-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJKFGZHXBLIJFCZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds6

About N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide

N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide (PubChem CID 60964838) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
PubChem CID60964838
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
SMILESCCC(C)NC(=O)CCNc1cnccn1
InChIInChI=1S/C11H18N4O/c1-3-9(2)15-11(16)4-5-13-10-8-12-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJKFGZHXBLIJFCZ-UHFFFAOYSA-N
XLogP1.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide (CID 60964838) is N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide is CCC(C)NC(=O)CCNc1cnccn1.
What is the InChIKey of N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide?
The InChIKey is JKFGZHXBLIJFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9(2)15-11(16)4-5-13-10-8-12-6-7-14-10/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide?
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide is sourced from PubChem (CID 60964838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).