N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide

C14H14N2O3 — CID 532822

IUPACN-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h3-9H,1-2H3,(H,16,17)
InChIKeyJTFFVIBKHIYKCR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.35
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 532822) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID532822
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h3-9H,1-2H3,(H,16,17)
InChIKeyJTFFVIBKHIYKCR-UHFFFAOYSA-N
XLogP2.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 532822) is N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is JTFFVIBKHIYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-5-6-13(19-2)12(8-11)16-14(17)10-4-3-7-15-9-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 532822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).