5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide

C26H25N7O2 — CID 44570856

IUPAC5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1
InChIInChI=1S/C26H25N7O2/c1-33(2)25(35)23-12-11-19(16-29-23)21-13-14-28-26(32-21)30-15-17-7-9-18(10-8-17)24(34)31-22-6-4-3-5-20(22)27/h3-14,16H,15,27H2,1-2H3,(H,31,34)(H,28,30,32)
InChIKeyOQBTZGWJYHJXRO-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.69
Rot. Bonds7

About 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide

5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 44570856) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID44570856
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1
InChIInChI=1S/C26H25N7O2/c1-33(2)25(35)23-12-11-19(16-29-23)21-13-14-28-26(32-21)30-15-17-7-9-18(10-8-17)24(34)31-22-6-4-3-5-20(22)27/h3-14,16H,15,27H2,1-2H3,(H,31,34)(H,28,30,32)
InChIKeyOQBTZGWJYHJXRO-UHFFFAOYSA-N
XLogP3.69
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide (CID 44570856) is 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1.
What is the InChIKey of 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is OQBTZGWJYHJXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-33(2)25(35)23-12-11-19(16-29-23)21-13-14-28-26(32-21)30-15-17-7-9-18(10-8-17)24(34)31-22-6-4-3-5-20(22)27/h3-14,16H,15,27H2,1-2H3,(H,31,34)(H,28,30,32).
What are the key properties of 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide?
5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 44570856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).