N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide

C14H13ClN2O3 — CID 882137

IUPACN-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2)c(OC)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-19-12-8-11(13(20-2)7-10(12)15)17-14(18)9-3-5-16-6-4-9/h3-8H,1-2H3,(H,17,18)
InChIKeyWGQBDZOQUUYUOX-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.00
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 882137) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID882137
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccncc2)c(OC)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-19-12-8-11(13(20-2)7-10(12)15)17-14(18)9-3-5-16-6-4-9/h3-8H,1-2H3,(H,17,18)
InChIKeyWGQBDZOQUUYUOX-UHFFFAOYSA-N
XLogP3.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide (CID 882137) is N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide is COc1cc(NC(=O)c2ccncc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is WGQBDZOQUUYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-19-12-8-11(13(20-2)7-10(12)15)17-14(18)9-3-5-16-6-4-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 882137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).