3-phenylmethoxypyridine-2-carboxamide

C13H12N2O2 — CID 22239033

IUPAC3-phenylmethoxypyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13(16)12-11(7-4-8-15-12)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyKHKMKPMVKSVVMC-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.76
Rot. Bonds4

About 3-phenylmethoxypyridine-2-carboxamide

3-phenylmethoxypyridine-2-carboxamide (PubChem CID 22239033) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-phenylmethoxypyridine-2-carboxamide
PubChem CID22239033
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-phenylmethoxypyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCc1ccccc1
InChIInChI=1S/C13H12N2O2/c14-13(16)12-11(7-4-8-15-12)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)
InChIKeyKHKMKPMVKSVVMC-UHFFFAOYSA-N
XLogP1.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 3-phenylmethoxypyridine-2-carboxamide (CID 22239033) is 3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 3-phenylmethoxypyridine-2-carboxamide is NC(=O)c1ncccc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is KHKMKPMVKSVVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-13(16)12-11(7-4-8-15-12)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16).
What are the key properties of 3-phenylmethoxypyridine-2-carboxamide?
3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 22239033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).