N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide

C12H14N4O2 — CID 9352199

IUPACN-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H14N4O2/c1-8(9-3-2-6-13-7-9)15-16-12(18)11(17)14-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,17)(H,16,18)/b15-8-
InChIKeyOGQRITYRKBTVDE-NVNXTCNLSA-N
MW246.27 g/mol
LogP0.20
Rot. Bonds3

About N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide (PubChem CID 9352199) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide
PubChem CID9352199
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide
SMILESC/C(=N/NC(=O)C(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H14N4O2/c1-8(9-3-2-6-13-7-9)15-16-12(18)11(17)14-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,17)(H,16,18)/b15-8-
InChIKeyOGQRITYRKBTVDE-NVNXTCNLSA-N
XLogP0.20
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.20
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'}

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Related Compounds

[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
CID 9352223
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
CID 40540652
molecular hydrogen;2-[1-oxo-1-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]propanamide
CID 172959555
2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide (CID 9352199) is N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide is C/C(=N/NC(=O)C(=O)NC1CC1)c1cccnc1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide?
The InChIKey is OGQRITYRKBTVDE-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(9-3-2-6-13-7-9)15-16-12(18)11(17)14-10-4-5-10/h2-3,6-7,10H,4-5H2,1H3,(H,14,17)(H,16,18)/b15-8-.
What are the key properties of N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide has a molecular weight of 246.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide is sourced from PubChem (CID 9352199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).