(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

C21H26N6O3 — CID 71252437

IUPAC(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1cnc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1
InChIInChI=1S/C21H26N6O3/c1-4-16-13-30-21(29)27(16)18-12-22-17(11-23-18)20(28)26-7-5-25(6-8-26)19-15(3)9-14(2)10-24-19/h9-12,16H,4-8,13H2,1-3H3/t16-/m1/s1
InChIKeyFFDDNIQSKSICRA-MRXNPFEDSA-N
MW410.48 g/mol
LogP2.19
Rot. Bonds4

About (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 71252437) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID71252437
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1COC(=O)N1c1cnc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1
InChIInChI=1S/C21H26N6O3/c1-4-16-13-30-21(29)27(16)18-12-22-17(11-23-18)20(28)26-7-5-25(6-8-26)19-15(3)9-14(2)10-24-19/h9-12,16H,4-8,13H2,1-3H3/t16-/m1/s1
InChIKeyFFDDNIQSKSICRA-MRXNPFEDSA-N
XLogP2.19
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 71252437) is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@@H]1COC(=O)N1c1cnc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1.
What is the InChIKey of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is FFDDNIQSKSICRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-16-13-30-21(29)27(16)18-12-22-17(11-23-18)20(28)26-7-5-25(6-8-26)19-15(3)9-14(2)10-24-19/h9-12,16H,4-8,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 410.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71252437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).