(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C23H27N5O3 — CID 58484873

IUPAC(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cn2)CC1
InChIInChI=1S/C23H27N5O3/c1-15-11-18(17-3-4-17)12-25-21(15)26-7-9-27(10-8-26)22(29)20-6-5-19(13-24-20)28-16(2)14-31-23(28)30/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3/t16-/m1/s1
InChIKeyHUSWQYTUUSVLDW-MRXNPFEDSA-N
MW421.50 g/mol
LogP2.97
Rot. Bonds4

About (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58484873) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID58484873
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cn2)CC1
InChIInChI=1S/C23H27N5O3/c1-15-11-18(17-3-4-17)12-25-21(15)26-7-9-27(10-8-26)22(29)20-6-5-19(13-24-20)28-16(2)14-31-23(28)30/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3/t16-/m1/s1
InChIKeyHUSWQYTUUSVLDW-MRXNPFEDSA-N
XLogP2.97
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 58484873) is (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3C)cn2)CC1.
What is the InChIKey of (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HUSWQYTUUSVLDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-11-18(17-3-4-17)12-25-21(15)26-7-9-27(10-8-26)22(29)20-6-5-19(13-24-20)28-16(2)14-31-23(28)30/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 421.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).