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

C16H17ClN2O3 — CID 84580916

IUPAC6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Cl)n2)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-10(11-7-8-13(21-2)14(9-11)22-3)18-16(20)12-5-4-6-15(17)19-12/h4-10H,1-3H3,(H,18,20)
InChIKeyZIHQCJJCXQWDAF-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.24
Rot. Bonds5

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

6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 84580916) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID84580916
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(Cl)n2)cc1OC
InChIInChI=1S/C16H17ClN2O3/c1-10(11-7-8-13(21-2)14(9-11)22-3)18-16(20)12-5-4-6-15(17)19-12/h4-10H,1-3H3,(H,18,20)
InChIKeyZIHQCJJCXQWDAF-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-propan-2-ylpyridine-2-carboxamide
CID 24903389
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2,3,5-trichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-6-hydroxybenzamide
CID 112821206

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide (CID 84580916) is 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(C(C)NC(=O)c2cccc(Cl)n2)cc1OC.
What is the InChIKey of 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is ZIHQCJJCXQWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10(11-7-8-13(21-2)14(9-11)22-3)18-16(20)12-5-4-6-15(17)19-12/h4-10H,1-3H3,(H,18,20).
What are the key properties of 6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-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-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 84580916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).