(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H30N6O3 — CID 135155075

IUPAC(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(OC2CCNCC2)nc1
InChIInChI=1S/C22H30N6O3/c1-14(2)18-13-30-22(29)28(18)19-8-11-24-21(27-19)26-15(3)16-4-5-20(25-12-16)31-17-6-9-23-10-7-17/h4-5,8,11-12,14-15,17-18,23H,6-7,9-10,13H2,1-3H3,(H,24,26,27)/t15?,18-/m1/s1
InChIKeyZZDVSKCYVQHQAH-KPMSDPLLSA-N
MW426.52 g/mol
LogP3.16
Rot. Bonds7

About (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135155075) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135155075
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(OC2CCNCC2)nc1
InChIInChI=1S/C22H30N6O3/c1-14(2)18-13-30-22(29)28(18)19-8-11-24-21(27-19)26-15(3)16-4-5-20(25-12-16)31-17-6-9-23-10-7-17/h4-5,8,11-12,14-15,17-18,23H,6-7,9-10,13H2,1-3H3,(H,24,26,27)/t15?,18-/m1/s1
InChIKeyZZDVSKCYVQHQAH-KPMSDPLLSA-N
XLogP3.16
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135155075) is (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1ccc(OC2CCNCC2)nc1.
What is the InChIKey of (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZZDVSKCYVQHQAH-KPMSDPLLSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-14(2)18-13-30-22(29)28(18)19-8-11-24-21(27-19)26-15(3)16-4-5-20(25-12-16)31-17-6-9-23-10-7-17/h4-5,8,11-12,14-15,17-18,23H,6-7,9-10,13H2,1-3H3,(H,24,26,27)/t15?,18-/m1/s1.
What are the key properties of (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 426.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[1-(6-piperidin-4-yloxy-3-pyridinyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135155075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).