(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

C18H18N6O4 — CID 95220774

IUPAC(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](c2cccnc2)(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)N1
InChIInChI=1S/C18H18N6O4/c25-14-10-20-13(9-21-14)15(26)24-6-3-11(4-7-24)18(12-2-1-5-19-8-12)16(27)22-17(28)23-18/h1-2,5,8-11H,3-4,6-7H2,(H,21,25)(H2,22,23,27,28)/t18-/m0/s1
InChIKeyHUGAFXSDHWWLCB-SFHVURJKSA-N
MW382.38 g/mol
LogP-0.25
Rot. Bonds3

About (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 95220774) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID95220774
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Name(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](c2cccnc2)(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)N1
InChIInChI=1S/C18H18N6O4/c25-14-10-20-13(9-21-14)15(26)24-6-3-11(4-7-24)18(12-2-1-5-19-8-12)16(27)22-17(28)23-18/h1-2,5,8-11H,3-4,6-7H2,(H,21,25)(H2,22,23,27,28)/t18-/m0/s1
InChIKeyHUGAFXSDHWWLCB-SFHVURJKSA-N
XLogP-0.25
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[(4S)-2,5-dioxo-4-pyridin-3-ylimidazolidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 95210155
(5R)-5-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95219951
(5R)-5-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95210694
(5S)-5-[1-[(2-hydroxy-5-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95213369
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45170309
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45218943

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 95220774) is (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@@](c2cccnc2)(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)N1.
What is the InChIKey of (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is HUGAFXSDHWWLCB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N6O4/c25-14-10-20-13(9-21-14)15(26)24-6-3-11(4-7-24)18(12-2-1-5-19-8-12)16(27)22-17(28)23-18/h1-2,5,8-11H,3-4,6-7H2,(H,21,25)(H2,22,23,27,28)/t18-/m0/s1.
What are the key properties of (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione?
(5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 382.38 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95220774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).