4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

C24H28N4O3 — CID 140934018

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O3/c1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20/h5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3/t18-/m1/s1
InChIKeyXPKRGGAJSNLWKX-GOSISDBHSA-N
MW420.51 g/mol
LogP3.18
Rot. Bonds4

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934018) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934018
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1
InChIInChI=1S/C24H28N4O3/c1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20/h5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3/t18-/m1/s1
InChIKeyXPKRGGAJSNLWKX-GOSISDBHSA-N
XLogP3.18
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140934018) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1C)[C@@H]1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is XPKRGGAJSNLWKX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-7-5-12-26-22(15)28(18-8-6-11-25-14-18)23(30)19-10-9-17(13-16(19)2)20-21(29)24(3,4)31-27-20/h5,7,9-10,12-13,18,25H,6,8,11,14H2,1-4H3/t18-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).