N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide

C20H19N3O2 — CID 1440879

IUPACN-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-17-11-9-16(10-12-17)23-19-18(8-5-13-21-19)20(24)22-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyXNWVMEZVMAUDEB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.76
Rot. Bonds6

About N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide

N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 1440879) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID1440879
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-17-11-9-16(10-12-17)23-19-18(8-5-13-21-19)20(24)22-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyXNWVMEZVMAUDEB-UHFFFAOYSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 1440879) is N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is XNWVMEZVMAUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-17-11-9-16(10-12-17)23-19-18(8-5-13-21-19)20(24)22-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 1440879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).