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

C22H27N5O3 — CID 58484827

IUPAC(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3cnc(N4C(=O)OC[C@H]4C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C22H27N5O3/c1-14-9-15(2)19(23-11-14)25-5-7-26(8-6-25)21(28)18-10-16(3)20(24-12-18)27-17(4)13-30-22(27)29/h9-12,17H,5-8,13H2,1-4H3/t17-/m1/s1
InChIKeyXQAREDSKRHSBNZ-QGZVFWFLSA-N
MW409.49 g/mol
LogP2.71
Rot. Bonds3

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

(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484827) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID58484827
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cnc(N2CCN(C(=O)c3cnc(N4C(=O)OC[C@H]4C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C22H27N5O3/c1-14-9-15(2)19(23-11-14)25-5-7-26(8-6-25)21(28)18-10-16(3)20(24-12-18)27-17(4)13-30-22(27)29/h9-12,17H,5-8,13H2,1-4H3/t17-/m1/s1
InChIKeyXQAREDSKRHSBNZ-QGZVFWFLSA-N
XLogP2.71
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381449
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380764
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380763
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
3-[3-chloro-4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381213
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67384675
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484526
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484827) is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3cnc(N4C(=O)OC[C@H]4C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is XQAREDSKRHSBNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-9-15(2)19(23-11-14)25-5-7-26(8-6-25)21(28)18-10-16(3)20(24-12-18)27-17(4)13-30-22(27)29/h9-12,17H,5-8,13H2,1-4H3/t17-/m1/s1.
What are the key properties of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methyl-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).