N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

C25H27N5O2 — CID 72697151

IUPACN-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1
InChIInChI=1S/C25H27N5O2/c1-16(2)15-27-21(31)14-17-8-10-19(11-9-17)28-24-22-20(12-13-26-25(22)32)29-23(30-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,29,30)
InChIKeyOWFJMYWBVGCGQQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.49
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 72697151) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID72697151
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1
InChIInChI=1S/C25H27N5O2/c1-16(2)15-27-21(31)14-17-8-10-19(11-9-17)28-24-22-20(12-13-26-25(22)32)29-23(30-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,29,30)
InChIKeyOWFJMYWBVGCGQQ-UHFFFAOYSA-N
XLogP3.49
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide 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 N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 72697151) is N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(C)CNC(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2C(=O)NCC3)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is OWFJMYWBVGCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16(2)15-27-21(31)14-17-8-10-19(11-9-17)28-24-22-20(12-13-26-25(22)32)29-23(30-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,32)(H,27,31)(H,28,29,30).
What are the key properties of N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 72697151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).