N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide

C19H25N3O3 — CID 129433234

IUPACN'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide
SMILESCCc1ccc([C@H](NC(=O)C(=O)Nc2cccnc2C)C(C)(C)C)o1
InChIInChI=1S/C19H25N3O3/c1-6-13-9-10-15(25-13)16(19(3,4)5)22-18(24)17(23)21-14-8-7-11-20-12(14)2/h7-11,16H,6H2,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyKXIBJCRQXATRBB-INIZCTEOSA-N
MW343.43 g/mol
LogP3.39
Rot. Bonds4

About N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide

N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide (PubChem CID 129433234) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide
PubChem CID129433234
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide
SMILESCCc1ccc([C@H](NC(=O)C(=O)Nc2cccnc2C)C(C)(C)C)o1
InChIInChI=1S/C19H25N3O3/c1-6-13-9-10-15(25-13)16(19(3,4)5)22-18(24)17(23)21-14-8-7-11-20-12(14)2/h7-11,16H,6H2,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyKXIBJCRQXATRBB-INIZCTEOSA-N
XLogP3.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide?
The IUPAC name of N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide (CID 129433234) is N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide.
What is the SMILES notation for N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide?
The canonical SMILES for N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide is CCc1ccc([C@H](NC(=O)C(=O)Nc2cccnc2C)C(C)(C)C)o1.
What is the InChIKey of N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide?
The InChIKey is KXIBJCRQXATRBB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-13-9-10-15(25-13)16(19(3,4)5)22-18(24)17(23)21-14-8-7-11-20-12(14)2/h7-11,16H,6H2,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide?
N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide has a molecular weight of 343.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-N-(2-methyl-3-pyridinyl)oxamide is sourced from PubChem (CID 129433234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).