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

C25H29N5O3 — CID 58484810

IUPAC3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C25H29N5O3/c1-16-12-22(30-10-11-33-25(30)32)26-15-21(16)24(31)29-8-6-28(7-9-29)23-20(18-4-5-18)13-19(14-27-23)17-2-3-17/h12-15,17-18H,2-11H2,1H3
InChIKeyQKYUGNKMBUKWHN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.46
Rot. Bonds5

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

3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 58484810) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID58484810
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1cc(N2CCOC2=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C25H29N5O3/c1-16-12-22(30-10-11-33-25(30)32)26-15-21(16)24(31)29-8-6-28(7-9-29)23-20(18-4-5-18)13-19(14-27-23)17-2-3-17/h12-15,17-18H,2-11H2,1H3
InChIKeyQKYUGNKMBUKWHN-UHFFFAOYSA-N
XLogP3.46
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one (CID 58484810) is 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one is Cc1cc(N2CCOC2=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.
What is the InChIKey of 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is QKYUGNKMBUKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-12-22(30-10-11-33-25(30)32)26-15-21(16)24(31)29-8-6-28(7-9-29)23-20(18-4-5-18)13-19(14-27-23)17-2-3-17/h12-15,17-18H,2-11H2,1H3.
What are the key properties of 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 447.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58484810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).