N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide

C18H19N5O4 — CID 5033190

IUPACN-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O4/c1-12(11-16(24)21-15-5-3-4-10-19-15)22-23-18(26)17(25)20-13-6-8-14(27-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,25)(H,23,26)(H,19,21,24)
InChIKeyPFYGNFIWJNJZLT-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.55
Rot. Bonds6

About N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide

N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide (PubChem CID 5033190) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
PubChem CID5033190
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O4/c1-12(11-16(24)21-15-5-3-4-10-19-15)22-23-18(26)17(25)20-13-6-8-14(27-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,25)(H,23,26)(H,19,21,24)
InChIKeyPFYGNFIWJNJZLT-UHFFFAOYSA-N
XLogP1.55
TPSA121.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N-tert-butyl-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 4610512
N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide
CID 3129985
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101285
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
N'-[[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methoxyphenyl)oxamide
CID 3682603
4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101281
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide (CID 5033190) is N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide is COc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide?
The InChIKey is PFYGNFIWJNJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-12(11-16(24)21-15-5-3-4-10-19-15)22-23-18(26)17(25)20-13-6-8-14(27-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,25)(H,23,26)(H,19,21,24).
What are the key properties of N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide?
N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide has a molecular weight of 369.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide is sourced from PubChem (CID 5033190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).