2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide

C15H17N3O3 — CID 115950747

IUPAC2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccnc(C)c2)c1
InChIInChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)18-15(19)12-7-11(20-2)8-13(21-3)14(12)16/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyCBGSIEZVWIWRCP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide

2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 115950747) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID115950747
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccnc(C)c2)c1
InChIInChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)18-15(19)12-7-11(20-2)8-13(21-3)14(12)16/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyCBGSIEZVWIWRCP-UHFFFAOYSA-N
XLogP2.24
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 110763310
2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
CID 116794634
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
2-methoxy-N-(2-methyl-4-pyridinyl)-4-propan-2-ylbenzamide
CID 110762949
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide (CID 115950747) is 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide is COc1cc(OC)c(N)c(C(=O)Nc2ccnc(C)c2)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is CBGSIEZVWIWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-6-10(4-5-17-9)18-15(19)12-7-11(20-2)8-13(21-3)14(12)16/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide?
2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 115950747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).