2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide

C25H30N4O4 — CID 164754536

IUPAC2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide
SMILESCOc1cc(CC(N)=O)c(N(CCc2cccnc2)CCc2cccnc2)c(OC)c1OC
InChIInChI=1S/C25H30N4O4/c1-31-21-14-20(15-22(26)30)23(25(33-3)24(21)32-2)29(12-8-18-6-4-10-27-16-18)13-9-19-7-5-11-28-17-19/h4-7,10-11,14,16-17H,8-9,12-13,15H2,1-3H3,(H2,26,30)
InChIKeyXUCCTMBENQHMDU-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.82
Rot. Bonds12

About 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide

2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide (PubChem CID 164754536) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide
PubChem CID164754536
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide
SMILESCOc1cc(CC(N)=O)c(N(CCc2cccnc2)CCc2cccnc2)c(OC)c1OC
InChIInChI=1S/C25H30N4O4/c1-31-21-14-20(15-22(26)30)23(25(33-3)24(21)32-2)29(12-8-18-6-4-10-27-16-18)13-9-19-7-5-11-28-17-19/h4-7,10-11,14,16-17H,8-9,12-13,15H2,1-3H3,(H2,26,30)
InChIKeyXUCCTMBENQHMDU-UHFFFAOYSA-N
XLogP2.82
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3,4-dimethoxy-N-(2-pyridin-3-ylethyl)anilino]benzoic acid
CID 68522894
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-methyl-N-(pyridin-3-ylmethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 86822666
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
ethyl 4-methoxy-3-(pyridin-3-ylmethoxy)benzoate
CID 91682546
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide?
The IUPAC name of 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide (CID 164754536) is 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide.
What is the SMILES notation for 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide?
The canonical SMILES for 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide is COc1cc(CC(N)=O)c(N(CCc2cccnc2)CCc2cccnc2)c(OC)c1OC.
What is the InChIKey of 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide?
The InChIKey is XUCCTMBENQHMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-31-21-14-20(15-22(26)30)23(25(33-3)24(21)32-2)29(12-8-18-6-4-10-27-16-18)13-9-19-7-5-11-28-17-19/h4-7,10-11,14,16-17H,8-9,12-13,15H2,1-3H3,(H2,26,30).
What are the key properties of 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide?
2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-pyridin-3-ylethyl)amino]-3,4,5-trimethoxyphenyl]acetamide is sourced from PubChem (CID 164754536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).