5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide

C22H22N6O3 — CID 167033243

IUPAC5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C22H22N6O3/c23-20(29)16-11-17(13-24-12-16)26-21(30)22(31)28-10-2-1-3-19(28)15-6-4-14(5-7-15)18-8-9-25-27-18/h4-9,11-13,19H,1-3,10H2,(H2,23,29)(H,25,27)(H,26,30)/t19-/m0/s1
InChIKeyHTKDPCMSSZBRMC-IBGZPJMESA-N
MW418.46 g/mol
LogP2.26
Rot. Bonds4

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

5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (PubChem CID 167033243) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
PubChem CID167033243
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C22H22N6O3/c23-20(29)16-11-17(13-24-12-16)26-21(30)22(31)28-10-2-1-3-19(28)15-6-4-14(5-7-15)18-8-9-25-27-18/h4-9,11-13,19H,1-3,10H2,(H2,23,29)(H,25,27)(H,26,30)/t19-/m0/s1
InChIKeyHTKDPCMSSZBRMC-IBGZPJMESA-N
XLogP2.26
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[4-(1,2,4-triazol-1-ylmethyl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033170
5-[[2-oxo-2-[(2S)-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033519
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
N-(5-methyl-3-pyridinyl)-2-oxo-2-(2-pyridin-4-ylpiperidin-1-yl)acetamide
CID 177382925
2-[(2S)-2-(4-hydroxyphenyl)piperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 167033207
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
5-[[2-[(5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034359
5-[[2-[2-(4,4-difluorocyclohexyl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750078
5-[[2-oxo-2-[(2R,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide;5-[[2-oxo-2-[(2S,5S)-2-phenyl-5-(2,2,2-trifluoroethyl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 165082493

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide (CID 167033243) is 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is NC(=O)c1cncc(NC(=O)C(=O)N2CCCC[C@H]2c2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
The InChIKey is HTKDPCMSSZBRMC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N6O3/c23-20(29)16-11-17(13-24-12-16)26-21(30)22(31)28-10-2-1-3-19(28)15-6-4-14(5-7-15)18-8-9-25-27-18/h4-9,11-13,19H,1-3,10H2,(H2,23,29)(H,25,27)(H,26,30)/t19-/m0/s1.
What are the key properties of 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide?
5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-2-[(2S)-2-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).