5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide

C19H25N3O3S — CID 26317818

IUPAC5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccs2)c1=O
InChIInChI=1S/C19H25N3O3S/c1-12(2)7-8-22-10-14(18(24)20-4)17(23)15(11-22)19(25)21-13(3)16-6-5-9-26-16/h5-6,9-13H,7-8H2,1-4H3,(H,20,24)(H,21,25)/t13-/m1/s1
InChIKeyCNAYPTGOJXZGEN-CYBMUJFWSA-N
MW375.49 g/mol
LogP2.81
Rot. Bonds7

About 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide

5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide (PubChem CID 26317818) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
PubChem CID26317818
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccs2)c1=O
InChIInChI=1S/C19H25N3O3S/c1-12(2)7-8-22-10-14(18(24)20-4)17(23)15(11-22)19(25)21-13(3)16-6-5-9-26-16/h5-6,9-13H,7-8H2,1-4H3,(H,20,24)(H,21,25)/t13-/m1/s1
InChIKeyCNAYPTGOJXZGEN-CYBMUJFWSA-N
XLogP2.81
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 25292980
1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide
CID 42235897
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
CID 95295495
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide (CID 26317818) is 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide is CNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccs2)c1=O.
What is the InChIKey of 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
The InChIKey is CNAYPTGOJXZGEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12(2)7-8-22-10-14(18(24)20-4)17(23)15(11-22)19(25)21-13(3)16-6-5-9-26-16/h5-6,9-13H,7-8H2,1-4H3,(H,20,24)(H,21,25)/t13-/m1/s1.
What are the key properties of 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide?
5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-1-(3-methylbutyl)-4-oxo-3-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26317818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).