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

C22H28ClN5O3 — CID 67384675

IUPAC(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1.Cl
InChIInChI=1S/C22H27N5O3.ClH/c1-4-18-14-30-22(29)27(18)19-6-5-17(13-23-19)21(28)26-9-7-25(8-10-26)20-16(3)11-15(2)12-24-20;/h5-6,11-13,18H,4,7-10,14H2,1-3H3;1H/t18-;/m1./s1
InChIKeyMOIAZUBJTYTHMY-GMUIIQOCSA-N
MW445.95 g/mol
LogP3.21
Rot. Bonds4

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

(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67384675) has the molecular formula C22H28ClN5O3 and a molecular weight of 445.95 g/mol. Its IUPAC name is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
PubChem CID67384675
Molecular FormulaC22H28ClN5O3
Molecular Weight445.95 g/mol
Exact Mass445.19
IUPAC Name(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
SMILESCC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1.Cl
InChIInChI=1S/C22H27N5O3.ClH/c1-4-18-14-30-22(29)27(18)19-6-5-17(13-23-19)21(28)26-9-7-25(8-10-26)20-16(3)11-15(2)12-24-20;/h5-6,11-13,18H,4,7-10,14H2,1-3H3;1H/t18-;/m1./s1
InChIKeyMOIAZUBJTYTHMY-GMUIIQOCSA-N
XLogP3.21
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 71252437
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381318
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67382281
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(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
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381449
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381251
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380763
(4R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methoxyphenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380764
3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-5-hydroxy-1H-imidazol-2-one
CID 123409239
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride (CID 67384675) is (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride is CC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C)cc3C)CC2)cn1.Cl.
What is the InChIKey of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is MOIAZUBJTYTHMY-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H27N5O3.ClH/c1-4-18-14-30-22(29)27(18)19-6-5-17(13-23-19)21(28)26-9-7-25(8-10-26)20-16(3)11-15(2)12-24-20;/h5-6,11-13,18H,4,7-10,14H2,1-3H3;1H/t18-;/m1./s1.
What are the key properties of (4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride?
(4R)-3-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 3.21, 4 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]-2-pyridinyl]-4-ethyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).