5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C22H23N7O3 — CID 167033170

IUPAC5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C22H23N7O3/c23-20(30)17-9-18(11-24-10-17)27-21(31)22(32)29-8-2-1-3-19(29)16-6-4-15(5-7-16)12-28-14-25-13-26-28/h4-7,9-11,13-14,19H,1-3,8,12H2,(H2,23,30)(H,27,31)/t19-/m0/s1
InChIKeyWSQWPJKIUSQIEP-IBGZPJMESA-N
MW433.47 g/mol
LogP1.51
Rot. Bonds5

About 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 167033170) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID167033170
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C22H23N7O3/c23-20(30)17-9-18(11-24-10-17)27-21(31)22(32)29-8-2-1-3-19(29)16-6-4-15(5-7-16)12-28-14-25-13-26-28/h4-7,9-11,13-14,19H,1-3,8,12H2,(H2,23,30)(H,27,31)/t19-/m0/s1
InChIKeyWSQWPJKIUSQIEP-IBGZPJMESA-N
XLogP1.51
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033243
5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649
5-[[2-oxo-2-[(2S)-2-(3-sulfamoylphenyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033299
5-[[2-[2-(3-chloro-5-fluorophenyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033060
5-[[2-[(2R)-2-cyclohexylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164752609
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033519
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(2S,5R)-2-(3-chloro-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753165

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 167033170) is 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is WSQWPJKIUSQIEP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N7O3/c23-20(30)17-9-18(11-24-10-17)27-21(31)22(32)29-8-2-1-3-19(29)16-6-4-15(5-7-16)12-28-14-25-13-26-28/h4-7,9-11,13-14,19H,1-3,8,12H2,(H2,23,30)(H,27,31)/t19-/m0/s1.
What are the key properties of 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[(2S)-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).