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

C15H15ClN2O2 — CID 81226778

IUPAC4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-9-20-14-6-4-3-5-13(14)18-15(19)11-10-17-8-7-12(11)16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyREKYBCKCWMXJKB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.78
Rot. Bonds5

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

4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide (PubChem CID 81226778) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
PubChem CID81226778
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-9-20-14-6-4-3-5-13(14)18-15(19)11-10-17-8-7-12(11)16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyREKYBCKCWMXJKB-UHFFFAOYSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
2,3-difluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 105380665
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
3-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 66482935
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide (CID 81226778) is 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide is CCCOc1ccccc1NC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide?
The InChIKey is REKYBCKCWMXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-9-20-14-6-4-3-5-13(14)18-15(19)11-10-17-8-7-12(11)16/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide?
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 81226778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).