2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C15H16N2O2 — CID 110850721

IUPAC2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C15H16N2O2/c1-11-6-3-4-7-12(11)10-17-14(18)13-8-5-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZOGHTXMBNHKVHG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.33
Rot. Bonds4

About 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 110850721) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID110850721
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1ccccc1C
InChIInChI=1S/C15H16N2O2/c1-11-6-3-4-7-12(11)10-17-14(18)13-8-5-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyZOGHTXMBNHKVHG-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 110850721) is 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZOGHTXMBNHKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-6-3-4-7-12(11)10-17-14(18)13-8-5-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110850721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).