N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide

C23H25N5O2 — CID 46578774

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C23H25N5O2/c29-22(19-8-4-9-20(16-19)27-23-24-10-5-11-25-23)26-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,26,29)(H,24,25,27)
InChIKeyUZELMZPQZJQNMQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.02
Rot. Bonds7

About N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide

N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 46578774) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
PubChem CID46578774
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C23H25N5O2/c29-22(19-8-4-9-20(16-19)27-23-24-10-5-11-25-23)26-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,26,29)(H,24,25,27)
InChIKeyUZELMZPQZJQNMQ-UHFFFAOYSA-N
XLogP3.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide 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-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide
CID 131915912
3-bromo-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 29090501
4-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 55574889
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide (CID 46578774) is N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is UZELMZPQZJQNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(19-8-4-9-20(16-19)27-23-24-10-5-11-25-23)26-17-21(18-6-2-1-3-7-18)28-12-14-30-15-13-28/h1-11,16,21H,12-15,17H2,(H,26,29)(H,24,25,27).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide?
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 403.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 46578774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).