1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one

C14H18N4O — CID 62939325

IUPAC1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one
SMILESCC(Nc1nccn(C(C)C)c1=O)c1ccncc1
InChIInChI=1S/C14H18N4O/c1-10(2)18-9-8-16-13(14(18)19)17-11(3)12-4-6-15-7-5-12/h4-11H,1-3H3,(H,16,17)
InChIKeyKNMYYKIAHORSLP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds4

About 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one

1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one (PubChem CID 62939325) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one
PubChem CID62939325
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one
SMILESCC(Nc1nccn(C(C)C)c1=O)c1ccncc1
InChIInChI=1S/C14H18N4O/c1-10(2)18-9-8-16-13(14(18)19)17-11(3)12-4-6-15-7-5-12/h4-11H,1-3H3,(H,16,17)
InChIKeyKNMYYKIAHORSLP-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446272
3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 83178717
1-tert-butyl-3-[1-(4-chlorophenyl)ethylamino]pyrazin-2-one
CID 62940764
1-ethyl-3-[1-(4-ethylphenyl)ethylamino]pyrazin-2-one
CID 62939685
3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
CID 62929854
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 114211784
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562002
2-ethyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 79806400
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one (CID 62939325) is 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one is CC(Nc1nccn(C(C)C)c1=O)c1ccncc1.
What is the InChIKey of 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one?
The InChIKey is KNMYYKIAHORSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)18-9-8-16-13(14(18)19)17-11(3)12-4-6-15-7-5-12/h4-11H,1-3H3,(H,16,17).
What are the key properties of 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one?
1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 62939325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).