3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide

C18H20N4O4 — CID 3101285

IUPAC3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-12(10-17(23)20-16-6-4-5-9-19-16)21-22-18(24)13-7-8-14(25-2)15(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24)(H,19,20,23)
InChIKeyIYEWAPDSZARESQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.23
Rot. Bonds7

About 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide

3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide (PubChem CID 3101285) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
PubChem CID3101285
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-12(10-17(23)20-16-6-4-5-9-19-16)21-22-18(24)13-7-8-14(25-2)15(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24)(H,19,20,23)
InChIKeyIYEWAPDSZARESQ-UHFFFAOYSA-N
XLogP2.23
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 3101281
3,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6035808
N-[[4-(benzylamino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3130009
N-[[4-(3,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3407014
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-3,4-dimethoxybenzamide
CID 3996338
4-methoxy-3-methyl-N-pyridin-2-ylbenzamide
CID 110761052
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-[[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]naphthalene-2-carboxamide
CID 4115333
N-(4-methoxyphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 5033190
3-amino-5-nitro-N-[(E)-[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide
CID 171979086

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide (CID 3101285) is 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide is COc1ccc(C(=O)NN=C(C)CC(=O)Nc2ccccn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
The InChIKey is IYEWAPDSZARESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(10-17(23)20-16-6-4-5-9-19-16)21-22-18(24)13-7-8-14(25-2)15(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24)(H,19,20,23).
What are the key properties of 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide?
3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]benzamide is sourced from PubChem (CID 3101285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).