2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide

C21H24N4O3 — CID 175470811

IUPAC2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCCC1CCC(c2ccccc2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1
InChIInChI=1S/C21H24N4O3/c1-2-14-10-11-17(15-7-4-3-5-8-15)25(13-14)21(28)20(27)24-19-16(18(22)26)9-6-12-23-19/h3-9,12,14,17H,2,10-11,13H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyWUQSCKAKHYWDAF-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.51
Rot. Bonds4

About 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide

2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 175470811) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID175470811
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCCC1CCC(c2ccccc2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1
InChIInChI=1S/C21H24N4O3/c1-2-14-10-11-17(15-7-4-3-5-8-15)25(13-14)21(28)20(27)24-19-16(18(22)26)9-6-12-23-19/h3-9,12,14,17H,2,10-11,13H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyWUQSCKAKHYWDAF-UHFFFAOYSA-N
XLogP2.51
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2R,5S)-2-(3-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707982
2-[[2-[(2S,5R)-2-[4-(methanesulfonamido)phenyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707955
2-[[2-[(2R,5S)-5-methyl-2-(1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175909459
2-ethyl-5-[[2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750286
2-[[2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175707966
2-[[2-[(2R,5S)-2-(5-acetamidothiophen-2-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022557
2-[[2-[(2S,5R)-5-methyl-2-[5-(methylcarbamoyl)thiophen-2-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 169004195
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
2-[[2-[(2S,5R)-2-[(1S,3S)-3-hydroxycyclohexyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 175909430
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 175470811) is 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide is CCC1CCC(c2ccccc2)N(C(=O)C(=O)Nc2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is WUQSCKAKHYWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-14-10-11-17(15-7-4-3-5-8-15)25(13-14)21(28)20(27)24-19-16(18(22)26)9-6-12-23-19/h3-9,12,14,17H,2,10-11,13H2,1H3,(H2,22,26)(H,23,24,27).
What are the key properties of 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-ethyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175470811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).