6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

C16H17ClN2O3 — CID 134053626

IUPAC6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-10(13-6-5-12(21-2)8-14(13)22-3)19-16(20)11-4-7-15(17)18-9-11/h4-10H,1-3H3,(H,19,20)
InChIKeyACXFFHMKNHXWSE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.24
Rot. Bonds5

About 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 134053626) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID134053626
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-10(13-6-5-12(21-2)8-14(13)22-3)19-16(20)11-4-7-15(17)18-9-11/h4-10H,1-3H3,(H,19,20)
InChIKeyACXFFHMKNHXWSE-UHFFFAOYSA-N
XLogP3.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide (CID 134053626) is 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(C(C)NC(=O)c2ccc(Cl)nc2)c(OC)c1.
What is the InChIKey of 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ACXFFHMKNHXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10(13-6-5-12(21-2)8-14(13)22-3)19-16(20)11-4-7-15(17)18-9-11/h4-10H,1-3H3,(H,19,20).
What are the key properties of 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 134053626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).