3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

C26H27N3O3 — CID 55699320

IUPAC3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C26H27N3O3/c1-18-14-22(15-19(2)24(18)32-17-20-6-5-11-27-16-20)25(30)28-23-9-7-21(8-10-23)26(31)29-12-3-4-13-29/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,28,30)
InChIKeyAZIRKGQTJBVSIX-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.77
Rot. Bonds6

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 55699320) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID55699320
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C26H27N3O3/c1-18-14-22(15-19(2)24(18)32-17-20-6-5-11-27-16-20)25(30)28-23-9-7-21(8-10-23)26(31)29-12-3-4-13-29/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,28,30)
InChIKeyAZIRKGQTJBVSIX-UHFFFAOYSA-N
XLogP4.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55761729
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
methyl 2-chloro-5-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]benzoate
CID 55762087
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzamide
CID 112827508
3,5-dimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46456498
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620670

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 55699320) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is AZIRKGQTJBVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-14-22(15-19(2)24(18)32-17-20-6-5-11-27-16-20)25(30)28-23-9-7-21(8-10-23)26(31)29-12-3-4-13-29/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,28,30).
What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).