3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one

C16H22N4O — CID 62938394

IUPAC3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCCN)c2ccccc2C)c1=O
InChIInChI=1S/C16H22N4O/c1-3-19-12-10-18-15(16(19)21)20(11-6-9-17)14-8-5-4-7-13(14)2/h4-5,7-8,10,12H,3,6,9,11,17H2,1-2H3
InChIKeyOTZLIPRUJCSIQA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.06
Rot. Bonds6

About 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one

3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one (PubChem CID 62938394) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
PubChem CID62938394
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCCN)c2ccccc2C)c1=O
InChIInChI=1S/C16H22N4O/c1-3-19-12-10-18-15(16(19)21)20(11-6-9-17)14-8-5-4-7-13(14)2/h4-5,7-8,10,12H,3,6,9,11,17H2,1-2H3
InChIKeyOTZLIPRUJCSIQA-UHFFFAOYSA-N
XLogP2.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one (CID 62938394) is 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one is CCn1ccnc(N(CCCN)c2ccccc2C)c1=O.
What is the InChIKey of 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one?
The InChIKey is OTZLIPRUJCSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-19-12-10-18-15(16(19)21)20(11-6-9-17)14-8-5-4-7-13(14)2/h4-5,7-8,10,12H,3,6,9,11,17H2,1-2H3.
What are the key properties of 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one?
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62938394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).