3-(4-decylanilino)-1H-pyrazin-2-one

C20H29N3O — CID 146198840

IUPAC3-(4-decylanilino)-1H-pyrazin-2-one
SMILESCCCCCCCCCCc1ccc(Nc2ncc[nH]c2=O)cc1
InChIInChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)23-19-20(24)22-16-15-21-19/h11-16H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBLXINFAIOKMDER-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.20
Rot. Bonds11

About 3-(4-decylanilino)-1H-pyrazin-2-one

3-(4-decylanilino)-1H-pyrazin-2-one (PubChem CID 146198840) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(4-decylanilino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-decylanilino)-1H-pyrazin-2-one
PubChem CID146198840
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-(4-decylanilino)-1H-pyrazin-2-one
SMILESCCCCCCCCCCc1ccc(Nc2ncc[nH]c2=O)cc1
InChIInChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)23-19-20(24)22-16-15-21-19/h11-16H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBLXINFAIOKMDER-UHFFFAOYSA-N
XLogP5.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzylamino)quinoxalin-2(1H)-one
CID 6324103
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
(R)-5-chloro-1-(1-cyclopropylpropyl)-3-(mesitylamino)pyrazin-2(1H)-one
CID 44189950
5-Chloro-1-(1-ethylpropyl)-3-(2,4,6-trimethylphenylamino)pyrazin-2(1H)-one
CID 15485770
4-hydroxy-5-(4-methylanilino)-1H-pyrimidin-6-one
CID 247426
N-cyclohexyl-N'-(4-methylphenyl)ethanediamide
CID 2271538
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-methyl-p-tolyl-amine
CID 13123529
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-ethyl-p-tolyl-amine
CID 13123531
Cyclohexyl-(4,5-dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine
CID 13123533
1-(3,5-Dimethylphenyl)-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025759
2-(4-butylanilino)-1-(2-phenylethyl)-4H-imidazol-5-one;hydrochloride
CID 16192775
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(mesitylamino)pyrazin-2(1H)-one
CID 44189946

Frequently Asked Questions

What is the IUPAC name of 3-(4-decylanilino)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-decylanilino)-1H-pyrazin-2-one (CID 146198840) is 3-(4-decylanilino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-decylanilino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-decylanilino)-1H-pyrazin-2-one is CCCCCCCCCCc1ccc(Nc2ncc[nH]c2=O)cc1.
What is the InChIKey of 3-(4-decylanilino)-1H-pyrazin-2-one?
The InChIKey is BLXINFAIOKMDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)23-19-20(24)22-16-15-21-19/h11-16H,2-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-decylanilino)-1H-pyrazin-2-one?
3-(4-decylanilino)-1H-pyrazin-2-one has a molecular weight of 327.47 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-decylanilino)-1H-pyrazin-2-one is sourced from PubChem (CID 146198840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).