5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C19H22N4O3S — CID 175632574

IUPAC5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@H]1CCC(Cc2cccs2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C19H22N4O3S/c1-12-4-5-15(8-16-3-2-6-27-16)23(11-12)19(26)18(25)22-14-7-13(17(20)24)9-21-10-14/h2-3,6-7,9-10,12,15H,4-5,8,11H2,1H3,(H2,20,24)(H,22,25)/t12-,15?/m0/s1
InChIKeyAXKQOXGAKVTKSD-SFVWDYPZSA-N
MW386.48 g/mol
LogP2.05
Rot. Bonds4

About 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 175632574) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID175632574
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESC[C@H]1CCC(Cc2cccs2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
InChIInChI=1S/C19H22N4O3S/c1-12-4-5-15(8-16-3-2-6-27-16)23(11-12)19(26)18(25)22-14-7-13(17(20)24)9-21-10-14/h2-3,6-7,9-10,12,15H,4-5,8,11H2,1H3,(H2,20,24)(H,22,25)/t12-,15?/m0/s1
InChIKeyAXKQOXGAKVTKSD-SFVWDYPZSA-N
XLogP2.05
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[(2R,5R)-5-methyl-2-thiophen-2-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022590
5-[[2-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033075
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2S,5S)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753001
5-[[2-oxo-2-[(1R,2S,5S)-2-thiophen-2-yl-3-azabicyclo[3.2.1]octan-3-yl]acetyl]amino]pyridine-3-carboxamide
CID 164753423
5-[[2-[(2S,5R)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750843
5-[[2-[(2S,5R)-5-methyl-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751359
5-[[2-[(2S,5R)-2-(2,3-dihydro-1-benzofuran-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753348
5-[[2-[(2R,5S)-2-(5-amino-2-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164751414
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
[4-[(2R,5S)-1-[2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164752749
5-[[2-[(2S,5R)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753284

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 175632574) is 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@H]1CCC(Cc2cccs2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.
What is the InChIKey of 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is AXKQOXGAKVTKSD-SFVWDYPZSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-4-5-15(8-16-3-2-6-27-16)23(11-12)19(26)18(25)22-14-7-13(17(20)24)9-21-10-14/h2-3,6-7,9-10,12,15H,4-5,8,11H2,1H3,(H2,20,24)(H,22,25)/t12-,15?/m0/s1.
What are the key properties of 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(5S)-5-methyl-2-(thiophen-2-ylmethyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175632574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).