5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide

C15H17N3O2 — CID 102704818

IUPAC5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(C)cc2C)cn1
InChIInChI=1S/C15H17N3O2/c1-9-6-10(2)13(16)7-12(9)15(19)18-11-4-5-14(20-3)17-8-11/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyQHBHTTXOOITCJP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide

5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide (PubChem CID 102704818) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
PubChem CID102704818
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(C)cc2C)cn1
InChIInChI=1S/C15H17N3O2/c1-9-6-10(2)13(16)7-12(9)15(19)18-11-4-5-14(20-3)17-8-11/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyQHBHTTXOOITCJP-UHFFFAOYSA-N
XLogP2.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-methoxy-3-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61091487
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
6-amino-N-(6-methoxy-3-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542771
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2-amino-4,6-dimethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 11630852
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide (CID 102704818) is 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide is COc1ccc(NC(=O)c2cc(N)c(C)cc2C)cn1.
What is the InChIKey of 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide?
The InChIKey is QHBHTTXOOITCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-10(2)13(16)7-12(9)15(19)18-11-4-5-14(20-3)17-8-11/h4-8H,16H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide?
5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-methoxy-3-pyridinyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102704818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).