3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide

C20H19N2O3+ — CID 23245668

IUPAC3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide
SMILESNC(=O)c1[nH+]ccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C20H18N2O3/c21-20(23)18-19(25-14-16-9-5-2-6-10-16)17(11-12-22-18)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,21,23)/p+1
InChIKeyABLGZNIZYPMRAR-UHFFFAOYSA-O
MW335.38 g/mol
LogP2.76
Rot. Bonds7

About 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide

3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide (PubChem CID 23245668) has the molecular formula C20H19N2O3+ and a molecular weight of 335.38 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide
PubChem CID23245668
Molecular FormulaC20H19N2O3+
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide
SMILESNC(=O)c1[nH+]ccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C20H18N2O3/c21-20(23)18-19(25-14-16-9-5-2-6-10-16)17(11-12-22-18)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,21,23)/p+1
InChIKeyABLGZNIZYPMRAR-UHFFFAOYSA-O
XLogP2.76
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide?
The IUPAC name of 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide (CID 23245668) is 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide.
What is the SMILES notation for 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide?
The canonical SMILES for 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide is NC(=O)c1[nH+]ccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide?
The InChIKey is ABLGZNIZYPMRAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O3/c21-20(23)18-19(25-14-16-9-5-2-6-10-16)17(11-12-22-18)24-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,21,23)/p+1.
What are the key properties of 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide?
3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)pyridin-1-ium-2-carboxamide is sourced from PubChem (CID 23245668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).