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

C23H26N4O3 — CID 140933893

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H26N4O3/c1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19/h4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3/t18-/m1/s1
InChIKeyUEHZSMSPEHHDQX-GOSISDBHSA-N
MW406.49 g/mol
LogP2.87
Rot. Bonds4

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

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933893) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933893
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H26N4O3/c1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19/h4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3/t18-/m1/s1
InChIKeyUEHZSMSPEHHDQX-GOSISDBHSA-N
XLogP2.87
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

BPKDi
CID 46901383
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4-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
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2-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
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CID 16278323
4-benzoyl-N-pyridin-2-ylbenzamide
CID 17397380
4-benzoyl-N-(5-methylpyridin-2-yl)benzamide
CID 24980870
4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
CID 24980950
3-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 24981084
Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrrolidin-1-yl)-pyridin-3-yl]-amide
CID 11610423

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933893) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-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)-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)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is UEHZSMSPEHHDQX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-6-4-13-25-21(15)27(18-7-5-12-24-14-18)22(29)17-10-8-16(9-11-17)19-20(28)23(2,3)30-26-19/h4,6,8-11,13,18,24H,5,7,12,14H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 2.87, 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)-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).