3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

C19H25N3O3S — CID 25364959

IUPAC3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-12(2)22-10-14(17(24)20-9-13-7-6-8-26-13)16(23)15(11-22)18(25)21-19(3,4)5/h6-8,10-12H,9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyLUMPBSHYIZYGJN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.95
Rot. Bonds5

About 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 25364959) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID25364959
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)n1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C19H25N3O3S/c1-12(2)22-10-14(17(24)20-9-13-7-6-8-26-13)16(23)15(11-22)18(25)21-19(3,4)5/h6-8,10-12H,9H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyLUMPBSHYIZYGJN-UHFFFAOYSA-N
XLogP2.95
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

N-tert-butyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 29253833
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
3-tert-butyl-5-oxo-N-(thiophen-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471150
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290675
2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62835443

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 25364959) is 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)n1cc(C(=O)NCc2cccs2)c(=O)c(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is LUMPBSHYIZYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12(2)22-10-14(17(24)20-9-13-7-6-8-26-13)16(23)15(11-22)18(25)21-19(3,4)5/h6-8,10-12H,9H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).