3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide

C20H19N5O4 — CID 31890706

IUPAC3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)cc1OC
InChIInChI=1S/C20H19N5O4/c1-28-16-8-7-14(12-17(16)29-2)19(27)25-24-18(26)13-5-3-6-15(11-13)23-20-21-9-4-10-22-20/h3-12H,1-2H3,(H,24,26)(H,25,27)(H,21,22,23)
InChIKeyWKLRJXHOHFZLCH-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.31
Rot. Bonds6

About 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide

3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide (PubChem CID 31890706) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
PubChem CID31890706
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)cc1OC
InChIInChI=1S/C20H19N5O4/c1-28-16-8-7-14(12-17(16)29-2)19(27)25-24-18(26)13-5-3-6-15(11-13)23-20-21-9-4-10-22-20/h3-12H,1-2H3,(H,24,26)(H,25,27)(H,21,22,23)
InChIKeyWKLRJXHOHFZLCH-UHFFFAOYSA-N
XLogP2.31
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
3-fluoro-4-methoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 86923429
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792481
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide (CID 31890706) is 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)c2cccc(Nc3ncccn3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide?
The InChIKey is WKLRJXHOHFZLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-28-16-8-7-14(12-17(16)29-2)19(27)25-24-18(26)13-5-3-6-15(11-13)23-20-21-9-4-10-22-20/h3-12H,1-2H3,(H,24,26)(H,25,27)(H,21,22,23).
What are the key properties of 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide?
3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide has a molecular weight of 393.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide is sourced from PubChem (CID 31890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).