N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide

C20H25N3O2 — CID 99616588

IUPACN-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1
InChIInChI=1S/C20H25N3O2/c1-13-11-12-17(14(2)21-13)23-19(25)18(24)22-15(3)20(4,5)16-9-7-6-8-10-16/h6-12,15H,1-5H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyLSLDQBQHKUCPIJ-OAHLLOKOSA-N
MW339.44 g/mol
LogP3.12
Rot. Bonds4

About N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide

N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide (PubChem CID 99616588) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide
PubChem CID99616588
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1
InChIInChI=1S/C20H25N3O2/c1-13-11-12-17(14(2)21-13)23-19(25)18(24)22-15(3)20(4,5)16-9-7-6-8-10-16/h6-12,15H,1-5H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyLSLDQBQHKUCPIJ-OAHLLOKOSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide (CID 99616588) is N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide is Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide?
The InChIKey is LSLDQBQHKUCPIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-11-12-17(14(2)21-13)23-19(25)18(24)22-15(3)20(4,5)16-9-7-6-8-10-16/h6-12,15H,1-5H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide?
N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide has a molecular weight of 339.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide is sourced from PubChem (CID 99616588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).