3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 66462452

IUPAC3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-7-21-14-4-3-10(16)8-13(14)19-15(20)11-5-6-18-9-12(11)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyGUTDIZCWTDHECI-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.43
Rot. Bonds5

About 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide

3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 66462452) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
PubChem CID66462452
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-7-21-14-4-3-10(16)8-13(14)19-15(20)11-5-6-18-9-12(11)17/h3-6,8-9H,2,7H2,1H3,(H,19,20)
InChIKeyGUTDIZCWTDHECI-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide (CID 66462452) is 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GUTDIZCWTDHECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-7-21-14-4-3-10(16)8-13(14)19-15(20)11-5-6-18-9-12(11)17/h3-6,8-9H,2,7H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide?
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66462452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).