2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide

C20H19N3O2 — CID 51128656

IUPAC2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccccc2Nc2ccccc2)cn1
InChIInChI=1S/C20H19N3O2/c1-23(16-12-13-19(25-2)21-14-16)20(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyNJWSIEJFKYFOPI-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.11
Rot. Bonds5

About 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide

2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide (PubChem CID 51128656) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide
PubChem CID51128656
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2ccccc2Nc2ccccc2)cn1
InChIInChI=1S/C20H19N3O2/c1-23(16-12-13-19(25-2)21-14-16)20(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3
InChIKeyNJWSIEJFKYFOPI-UHFFFAOYSA-N
XLogP4.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide?
The IUPAC name of 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide (CID 51128656) is 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide is COc1ccc(N(C)C(=O)c2ccccc2Nc2ccccc2)cn1.
What is the InChIKey of 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide?
The InChIKey is NJWSIEJFKYFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(16-12-13-19(25-2)21-14-16)20(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-14,22H,1-2H3.
What are the key properties of 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide?
2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 51128656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).