3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C22H29N3O3 — CID 26332568

IUPAC3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)25-13-17(20(27)23-22(3,4)5)19(26)18(14-25)21(28)24(6)12-16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3,(H,23,27)
InChIKeyFYEBPEZOQUTZGX-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.23
Rot. Bonds5

About 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26332568) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26332568
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)25-13-17(20(27)23-22(3,4)5)19(26)18(14-25)21(28)24(6)12-16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3,(H,23,27)
InChIKeyFYEBPEZOQUTZGX-UHFFFAOYSA-N
XLogP3.23
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide with MolForge

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Related Compounds

3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25364959
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45199983
3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 28786533
N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42818320
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
N-tert-butyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 29253833
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 26332568) is 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is FYEBPEZOQUTZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)25-13-17(20(27)23-22(3,4)5)19(26)18(14-25)21(28)24(6)12-16-10-8-7-9-11-16/h7-11,13-15H,12H2,1-6H3,(H,23,27).
What are the key properties of 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26332568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).