N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C24H26N6O3 — CID 73167599

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C24H26N6O3/c25-15-18-4-2-10-26-22(18)29-12-8-17(9-13-29)16-27-23(32)24(33)28-19-5-1-6-20(14-19)30-11-3-7-21(30)31/h1-2,4-6,10,14,17H,3,7-9,11-13,16H2,(H,27,32)(H,28,33)
InChIKeySVEZTWSFSOUZCE-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 73167599) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID73167599
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1
InChIInChI=1S/C24H26N6O3/c25-15-18-4-2-10-26-22(18)29-12-8-17(9-13-29)16-27-23(32)24(33)28-19-5-1-6-20(14-19)30-11-3-7-21(30)31/h1-2,4-6,10,14,17H,3,7-9,11-13,16H2,(H,27,32)(H,28,33)
InChIKeySVEZTWSFSOUZCE-UHFFFAOYSA-N
XLogP2.05
TPSA118.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 121107805
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 72716893
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 121107789
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 121107781
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2,4-difluorophenyl)oxamide
CID 121107759
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 121108998
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-ethoxyphenyl)oxamide
CID 72716890
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 73167599) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is SVEZTWSFSOUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-15-18-4-2-10-26-22(18)29-12-8-17(9-13-29)16-27-23(32)24(33)28-19-5-1-6-20(14-19)30-11-3-7-21(30)31/h1-2,4-6,10,14,17H,3,7-9,11-13,16H2,(H,27,32)(H,28,33).
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 446.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 73167599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).