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

C16H21N5O2 — CID 121107725

IUPACN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N5O2/c1-2-18-15(22)16(23)20-11-12-5-8-21(9-6-12)14-13(10-17)4-3-7-19-14/h3-4,7,12H,2,5-6,8-9,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyYZEDFWUCBODDFR-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.42
Rot. Bonds4

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

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide (PubChem CID 121107725) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
PubChem CID121107725
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N5O2/c1-2-18-15(22)16(23)20-11-12-5-8-21(9-6-12)14-13(10-17)4-3-7-19-14/h3-4,7,12H,2,5-6,8-9,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyYZEDFWUCBODDFR-UHFFFAOYSA-N
XLogP0.42
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.42
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]oxamide
CID 73167597
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]cyclobutanecarboxamide
CID 121108857
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]-N'-(2-fluorophenyl)oxamide
CID 121107742
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
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]-2,2-diphenylacetamide
CID 121108971
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2,4-difluorophenyl)oxamide
CID 121107759

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide?
The IUPAC name of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide (CID 121107725) is N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide.
What is the SMILES notation for N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide?
The canonical SMILES for N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide is CCNC(=O)C(=O)NCC1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide?
The InChIKey is YZEDFWUCBODDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-18-15(22)16(23)20-11-12-5-8-21(9-6-12)14-13(10-17)4-3-7-19-14/h3-4,7,12H,2,5-6,8-9,11H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide?
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide has a molecular weight of 315.38 g/mol, XLogP of 0.42, 4 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]-N-ethyloxamide is sourced from PubChem (CID 121107725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).