N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide

C13H16N4O2 — CID 174156826

IUPACN'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide
SMILESC/C=C\C=NNC(=O)C(=O)NCCc1cccnc1
InChIInChI=1S/C13H16N4O2/c1-2-3-8-16-17-13(19)12(18)15-9-6-11-5-4-7-14-10-11/h2-5,7-8,10H,6,9H2,1H3,(H,15,18)(H,17,19)/b3-2-,16-8?
InChIKeyFIRHLUHXXFBGNM-OPRRYBFASA-N
MW260.30 g/mol
LogP0.42
Rot. Bonds5

About N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide

N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide (PubChem CID 174156826) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide
PubChem CID174156826
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide
SMILESC/C=C\C=NNC(=O)C(=O)NCCc1cccnc1
InChIInChI=1S/C13H16N4O2/c1-2-3-8-16-17-13(19)12(18)15-9-6-11-5-4-7-14-10-11/h2-5,7-8,10H,6,9H2,1H3,(H,15,18)(H,17,19)/b3-2-,16-8?
InChIKeyFIRHLUHXXFBGNM-OPRRYBFASA-N
XLogP0.42
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide with MolForge

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Related Compounds

methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-[(E)-but-2-enyl]-2-pyridin-3-ylacetamide
CID 178011059
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685

Frequently Asked Questions

What is the IUPAC name of N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide?
The IUPAC name of N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide (CID 174156826) is N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide.
What is the SMILES notation for N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide?
The canonical SMILES for N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide is C/C=C\C=NNC(=O)C(=O)NCCc1cccnc1.
What is the InChIKey of N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide?
The InChIKey is FIRHLUHXXFBGNM-OPRRYBFASA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-3-8-16-17-13(19)12(18)15-9-6-11-5-4-7-14-10-11/h2-5,7-8,10H,6,9H2,1H3,(H,15,18)(H,17,19)/b3-2-,16-8?.
What are the key properties of N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide?
N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide has a molecular weight of 260.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide is sourced from PubChem (CID 174156826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).