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

C14H14N2O2 — CID 668902

IUPACN-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1
InChIInChI=1S/C14H14N2O2/c1-18-13-7-3-2-5-11(13)10-16-14(17)12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZUNAVUWRSKKHAQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.02
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 668902) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID668902
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccnc1
InChIInChI=1S/C14H14N2O2/c1-18-13-7-3-2-5-11(13)10-16-14(17)12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyZUNAVUWRSKKHAQ-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-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 668902) is N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cccnc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZUNAVUWRSKKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-7-3-2-5-11(13)10-16-14(17)12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 668902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).