N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide

C25H29N3O2 — CID 55788737

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C25H29N3O2/c1-3-28(4-2)18-21-12-10-20(11-13-21)17-27-25(29)23-8-5-9-24(15-23)30-19-22-7-6-14-26-16-22/h5-16H,3-4,17-19H2,1-2H3,(H,27,29)
InChIKeyFQVOVDWEKSZNOI-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.43
Rot. Bonds10

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55788737) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55788737
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cccc(OCc3cccnc3)c2)cc1
InChIInChI=1S/C25H29N3O2/c1-3-28(4-2)18-21-12-10-20(11-13-21)17-27-25(29)23-8-5-9-24(15-23)30-19-22-7-6-14-26-16-22/h5-16H,3-4,17-19H2,1-2H3,(H,27,29)
InChIKeyFQVOVDWEKSZNOI-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55788737) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide is CCN(CC)Cc1ccc(CNC(=O)c2cccc(OCc3cccnc3)c2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FQVOVDWEKSZNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-28(4-2)18-21-12-10-20(11-13-21)17-27-25(29)23-8-5-9-24(15-23)30-19-22-7-6-14-26-16-22/h5-16H,3-4,17-19H2,1-2H3,(H,27,29).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55788737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).