N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide

C25H30N4O3 — CID 66859219

IUPACN-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C25H30N4O3/c1-4-5-9-24(30)28-20-8-6-7-19(17-20)21-13-15-27-25(29-21)26-14-12-18-10-11-22(31-2)23(16-18)32-3/h6-8,10-11,13,15-17H,4-5,9,12,14H2,1-3H3,(H,28,30)(H,26,27,29)
InChIKeyGIITXNZILCJZGR-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.94
Rot. Bonds11

About N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide

N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide (PubChem CID 66859219) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide
PubChem CID66859219
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C25H30N4O3/c1-4-5-9-24(30)28-20-8-6-7-19(17-20)21-13-15-27-25(29-21)26-14-12-18-10-11-22(31-2)23(16-18)32-3/h6-8,10-11,13,15-17H,4-5,9,12,14H2,1-3H3,(H,28,30)(H,26,27,29)
InChIKeyGIITXNZILCJZGR-UHFFFAOYSA-N
XLogP4.94
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide 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-amino-N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]butanamide;hydrochloride
CID 66857509
3-[[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]benzoyl]amino]propylcarbamic acid
CID 68628144
1-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pentan-2-one
CID 58103238
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 58103381
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N'-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]butanediamide
CID 58103273
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103290
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide?
The IUPAC name of N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide (CID 66859219) is N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide.
What is the SMILES notation for N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide?
The canonical SMILES for N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide is CCCCC(=O)Nc1cccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide?
The InChIKey is GIITXNZILCJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-5-9-24(30)28-20-8-6-7-19(17-20)21-13-15-27-25(29-21)26-14-12-18-10-11-22(31-2)23(16-18)32-3/h6-8,10-11,13,15-17H,4-5,9,12,14H2,1-3H3,(H,28,30)(H,26,27,29).
What are the key properties of N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide?
N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide has a molecular weight of 434.54 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide is sourced from PubChem (CID 66859219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).