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

C16H18N2O3 — CID 110763310

IUPAC2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccnc(C)c2)c(OC)cc1C
InChIInChI=1S/C16H18N2O3/c1-10-7-15(21-4)13(9-14(10)20-3)16(19)18-12-5-6-17-11(2)8-12/h5-9H,1-4H3,(H,17,18,19)
InChIKeyLBHRXAXKMBOVHF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.97
Rot. Bonds4

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

2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 110763310) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID110763310
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccnc(C)c2)c(OC)cc1C
InChIInChI=1S/C16H18N2O3/c1-10-7-15(21-4)13(9-14(10)20-3)16(19)18-12-5-6-17-11(2)8-12/h5-9H,1-4H3,(H,17,18,19)
InChIKeyLBHRXAXKMBOVHF-UHFFFAOYSA-N
XLogP2.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide (CID 110763310) is 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide is COc1cc(C(=O)Nc2ccnc(C)c2)c(OC)cc1C.
What is the InChIKey of 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is LBHRXAXKMBOVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-15(21-4)13(9-14(10)20-3)16(19)18-12-5-6-17-11(2)8-12/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide?
2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methyl-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 110763310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).