4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide

C16H17N3O3 — CID 143438405

IUPAC4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide
SMILES[H]/N=C(\c1cccnc1)c1cc(OC)c(OC)cc1C(=O)NC
InChIInChI=1S/C16H17N3O3/c1-18-16(20)12-8-14(22-3)13(21-2)7-11(12)15(17)10-5-4-6-19-9-10/h4-9,17H,1-3H3,(H,18,20)/b17-15+
InChIKeyPAEDACKBAKBHTN-BMRADRMJSA-N
MW299.33 g/mol
LogP1.87
Rot. Bonds5

About 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide

4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide (PubChem CID 143438405) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide
PubChem CID143438405
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide
SMILES[H]/N=C(\c1cccnc1)c1cc(OC)c(OC)cc1C(=O)NC
InChIInChI=1S/C16H17N3O3/c1-18-16(20)12-8-14(22-3)13(21-2)7-11(12)15(17)10-5-4-6-19-9-10/h4-9,17H,1-3H3,(H,18,20)/b17-15+
InChIKeyPAEDACKBAKBHTN-BMRADRMJSA-N
XLogP1.87
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(pyridine-3-carboximidoyl)benzamide
CID 143221625
N-methylpyridine-3-carboxamide chloride
CID 20976730
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
(3,4-dimethylphenyl)-pyridin-3-ylmethanimine
CID 22299343
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465234
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The IUPAC name of 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide (CID 143438405) is 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide.
What is the SMILES notation for 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The canonical SMILES for 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide is [H]/N=C(\c1cccnc1)c1cc(OC)c(OC)cc1C(=O)NC.
What is the InChIKey of 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
The InChIKey is PAEDACKBAKBHTN-BMRADRMJSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-16(20)12-8-14(22-3)13(21-2)7-11(12)15(17)10-5-4-6-19-9-10/h4-9,17H,1-3H3,(H,18,20)/b17-15+.
What are the key properties of 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide?
4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-methyl-2-(pyridine-3-carboximidoyl)benzamide is sourced from PubChem (CID 143438405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).