N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C17H19ClN2O4 — CID 24818283

IUPACN-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccncc2Cl)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)4-5-16(21)20-13-6-7-19-10-12(13)18/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyODROXZTZXBCSRM-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.33
Rot. Bonds7

About N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 24818283) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID24818283
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccncc2Cl)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)4-5-16(21)20-13-6-7-19-10-12(13)18/h6-10H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyODROXZTZXBCSRM-UHFFFAOYSA-N
XLogP3.33
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 24818283) is N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccncc2Cl)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is ODROXZTZXBCSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-22-14-8-11(9-15(23-2)17(14)24-3)4-5-16(21)20-13-6-7-19-10-12(13)18/h6-10H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 350.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 24818283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).