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

C14H17N5O2 — CID 73167597

IUPACN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(N)=O)CC1
InChIInChI=1S/C14H17N5O2/c15-8-11-2-1-5-17-13(11)19-6-3-10(4-7-19)9-18-14(21)12(16)20/h1-2,5,10H,3-4,6-7,9H2,(H2,16,20)(H,18,21)
InChIKeyBKWZCDKDEGEIPW-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.23
Rot. Bonds3

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

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide (PubChem CID 73167597) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
PubChem CID73167597
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)C(N)=O)CC1
InChIInChI=1S/C14H17N5O2/c15-8-11-2-1-5-17-13(11)19-6-3-10(4-7-19)9-18-14(21)12(16)20/h1-2,5,10H,3-4,6-7,9H2,(H2,16,20)(H,18,21)
InChIKeyBKWZCDKDEGEIPW-UHFFFAOYSA-N
XLogP-0.23
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.23
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

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
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]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 121107789
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 72716918
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]-N'-(2,4-difluorophenyl)oxamide
CID 121107759
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]-3-(dimethylamino)benzamide
CID 72716920

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide (CID 73167597) is N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide is N#Cc1cccnc1N1CCC(CNC(=O)C(N)=O)CC1.
What is the InChIKey of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is BKWZCDKDEGEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-8-11-2-1-5-17-13(11)19-6-3-10(4-7-19)9-18-14(21)12(16)20/h1-2,5,10H,3-4,6-7,9H2,(H2,16,20)(H,18,21).
What are the key properties of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide?
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 287.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 73167597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).