3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

C24H26ClN3O3 — CID 78792706

IUPAC3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H26ClN3O3/c1-17(2)16-31-23-21(25)11-20(12-22(23)30-3)24(29)28(14-18-6-9-26-10-7-18)15-19-5-4-8-27-13-19/h4-13,17H,14-16H2,1-3H3
InChIKeyXUWNVXHAPLCOAA-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.02
Rot. Bonds9

About 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 78792706) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID78792706
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C24H26ClN3O3/c1-17(2)16-31-23-21(25)11-20(12-22(23)30-3)24(29)28(14-18-6-9-26-10-7-18)15-19-5-4-8-27-13-19/h4-13,17H,14-16H2,1-3H3
InChIKeyXUWNVXHAPLCOAA-UHFFFAOYSA-N
XLogP5.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-cyanoethyl)-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 60519812
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
3-chloro-N-(2-cyanoethyl)-4-ethoxy-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 78805528
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 75468298
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 55412139
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 78792706) is 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is XUWNVXHAPLCOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-17(2)16-31-23-21(25)11-20(12-22(23)30-3)24(29)28(14-18-6-9-26-10-7-18)15-19-5-4-8-27-13-19/h4-13,17H,14-16H2,1-3H3.
What are the key properties of 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 439.94 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 78792706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).