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

C21H29N3O3S — CID 45199983

IUPAC3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C21H29N3O3S/c1-13(2)24-10-16(18(25)17(11-24)20(27)23-21(4,5)6)19(26)22-14(3)9-15-7-8-28-12-15/h7-8,10-14H,9H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyVOXJNZNVLNGDEQ-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.38
Rot. Bonds6

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

3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide (PubChem CID 45199983) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
PubChem CID45199983
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C21H29N3O3S/c1-13(2)24-10-16(18(25)17(11-24)20(27)23-21(4,5)6)19(26)22-14(3)9-15-7-8-28-12-15/h7-8,10-14H,9H2,1-6H3,(H,22,26)(H,23,27)
InChIKeyVOXJNZNVLNGDEQ-UHFFFAOYSA-N
XLogP3.38
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25364959
5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26397027
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45203643
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide
CID 131894123
3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26332568
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide (CID 45199983) is 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide is CC(Cc1ccsc1)NC(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O.
What is the InChIKey of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The InChIKey is VOXJNZNVLNGDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-13(2)24-10-16(18(25)17(11-24)20(27)23-21(4,5)6)19(26)22-14(3)9-15-7-8-28-12-15/h7-8,10-14H,9H2,1-6H3,(H,22,26)(H,23,27).
What are the key properties of 3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide has a molecular weight of 403.55 g/mol, XLogP of 3.38, 6 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-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45199983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).