1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide

C23H26N2O2 — CID 11462603

IUPAC1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-23(2,3)24-22(27)20-14-19(18-12-8-5-9-13-18)15-21(26)25(20)16-17-10-6-4-7-11-17/h4-13,15,20H,14,16H2,1-3H3,(H,24,27)
InChIKeyNSPRCMADXSHKIE-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.79
Rot. Bonds4

About 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide

1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide (PubChem CID 11462603) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide
PubChem CID11462603
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(c2ccccc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-23(2,3)24-22(27)20-14-19(18-12-8-5-9-13-18)15-21(26)25(20)16-17-10-6-4-7-11-17/h4-13,15,20H,14,16H2,1-3H3,(H,24,27)
InChIKeyNSPRCMADXSHKIE-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide?
The IUPAC name of 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide (CID 11462603) is 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide is CC(C)(C)NC(=O)C1CC(c2ccccc2)=CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide?
The InChIKey is NSPRCMADXSHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2,3)24-22(27)20-14-19(18-12-8-5-9-13-18)15-21(26)25(20)16-17-10-6-4-7-11-17/h4-13,15,20H,14,16H2,1-3H3,(H,24,27).
What are the key properties of 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide?
1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide is sourced from PubChem (CID 11462603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).