N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

C14H14N2O2 — CID 831703

IUPACN-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-3-2-4-12(13)10-16-14(17)11-6-8-15-9-7-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJAXXBRCOESJIPF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.02
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 831703) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID831703
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-3-2-4-12(13)10-16-14(17)11-6-8-15-9-7-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyJAXXBRCOESJIPF-UHFFFAOYSA-N
XLogP2.02
TPSA51.22 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 831703) is N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccccc1CNC(=O)c1ccncc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is JAXXBRCOESJIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-5-3-2-4-12(13)10-16-14(17)11-6-8-15-9-7-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 831703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).