N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C20H20N4O2 — CID 95924688

IUPACN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc([C@H](NC(=O)Cn2cnc3ncccc3c2=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-17(25)11-24-12-22-19-16(20(24)26)3-2-10-21-19/h2-7,10,12,15,18H,8-9,11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeySNWBEUCIYHXSLY-SFHVURJKSA-N
MW348.41 g/mol
LogP2.37
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 95924688) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID95924688
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc([C@H](NC(=O)Cn2cnc3ncccc3c2=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-17(25)11-24-12-22-19-16(20(24)26)3-2-10-21-19/h2-7,10,12,15,18H,8-9,11H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeySNWBEUCIYHXSLY-SFHVURJKSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)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-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 95924688) is N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is Cc1ccc([C@H](NC(=O)Cn2cnc3ncccc3c2=O)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is SNWBEUCIYHXSLY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-6-14(7-5-13)18(15-8-9-15)23-17(25)11-24-12-22-19-16(20(24)26)3-2-10-21-19/h2-7,10,12,15,18H,8-9,11H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 95924688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).