(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C23H30N6O3 — CID 89490174

IUPAC(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H30N6O3/c1-15(2)19-14-32-23(31)29(19)20-6-10-25-22(27-20)26-16(3)17-7-11-28(12-8-17)21(30)18-5-4-9-24-13-18/h4-6,9-10,13,15-17,19H,7-8,11-12,14H2,1-3H3,(H,25,26,27)/t16?,19-/m1/s1
InChIKeyPNIWDWJMNJTLSC-LRTDYKAYSA-N
MW438.53 g/mol
LogP3.21
Rot. Bonds6

About (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 89490174) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID89490174
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H30N6O3/c1-15(2)19-14-32-23(31)29(19)20-6-10-25-22(27-20)26-16(3)17-7-11-28(12-8-17)21(30)18-5-4-9-24-13-18/h4-6,9-10,13,15-17,19H,7-8,11-12,14H2,1-3H3,(H,25,26,27)/t16?,19-/m1/s1
InChIKeyPNIWDWJMNJTLSC-LRTDYKAYSA-N
XLogP3.21
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 89490174) is (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is PNIWDWJMNJTLSC-LRTDYKAYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-15(2)19-14-32-23(31)29(19)20-6-10-25-22(27-20)26-16(3)17-7-11-28(12-8-17)21(30)18-5-4-9-24-13-18/h4-6,9-10,13,15-17,19H,7-8,11-12,14H2,1-3H3,(H,25,26,27)/t16?,19-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[1-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).