3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C21H26ClN3O3 — CID 55483903

IUPAC3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OCC
InChIInChI=1S/C21H26ClN3O3/c1-3-11-28-20-17(22)12-15(13-18(20)27-4-2)21(26)24-16-7-8-19(23-14-16)25-9-5-6-10-25/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,24,26)
InChIKeyUXUINZVWJUJCPE-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.78
Rot. Bonds8

About 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 55483903) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID55483903
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OCC
InChIInChI=1S/C21H26ClN3O3/c1-3-11-28-20-17(22)12-15(13-18(20)27-4-2)21(26)24-16-7-8-19(23-14-16)25-9-5-6-10-25/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,24,26)
InChIKeyUXUINZVWJUJCPE-UHFFFAOYSA-N
XLogP4.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-5-ethoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-4-propoxybenzamide
CID 55484306
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714
4-butoxy-3-chloro-5-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55744394
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 55483903) is 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is CCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is UXUINZVWJUJCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-3-11-28-20-17(22)12-15(13-18(20)27-4-2)21(26)24-16-7-8-19(23-14-16)25-9-5-6-10-25/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,24,26).
What are the key properties of 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 403.91 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 55483903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).