3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide

C24H25N3O4 — CID 44819015

IUPAC3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJUBQGWGPNRKSSH-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.00
Rot. Bonds9

About 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide

3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 44819015) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID44819015
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJUBQGWGPNRKSSH-UHFFFAOYSA-N
XLogP3.00
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide (CID 44819015) is 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is JUBQGWGPNRKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-7-6-20(15-22(21)31-2)24(29)27-16-18-4-3-5-19(14-18)23(28)26-13-10-17-8-11-25-12-9-17/h3-9,11-12,14-15H,10,13,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide?
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 44819015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).