3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C14H14N2O2 — CID 175807112

IUPAC3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1Cc1cccnc1C(N)=O
InChIInChI=1S/C14H14N2O2/c1-18-12-7-3-2-5-10(12)9-11-6-4-8-16-13(11)14(15)17/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyJCERNLDIUGRZKG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.78
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 175807112) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID175807112
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1Cc1cccnc1C(N)=O
InChIInChI=1S/C14H14N2O2/c1-18-12-7-3-2-5-10(12)9-11-6-4-8-16-13(11)14(15)17/h2-8H,9H2,1H3,(H2,15,17)
InChIKeyJCERNLDIUGRZKG-UHFFFAOYSA-N
XLogP1.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 175807112) is 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1Cc1cccnc1C(N)=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is JCERNLDIUGRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-12-7-3-2-5-10(12)9-11-6-4-8-16-13(11)14(15)17/h2-8H,9H2,1H3,(H2,15,17).
What are the key properties of 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 175807112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).