2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide

C23H20N4O2 — CID 135404112

IUPAC2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc2[nH]c(C#Cc3cccc4ccccc34)cc2c(=O)[nH]1
InChIInChI=1S/C23H20N4O2/c1-23(2,3)21(29)27-22-25-19-18(20(28)26-22)13-16(24-19)12-11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyRYFXUANPOBXVJY-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.79
Rot. Bonds1

About 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide

2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide (PubChem CID 135404112) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide
PubChem CID135404112
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc2[nH]c(C#Cc3cccc4ccccc34)cc2c(=O)[nH]1
InChIInChI=1S/C23H20N4O2/c1-23(2,3)21(29)27-22-25-19-18(20(28)26-22)13-16(24-19)12-11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyRYFXUANPOBXVJY-UHFFFAOYSA-N
XLogP3.79
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide 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

N-(6-ethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 154297432
N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135577900
2,2-dimethyl-N-(10-oxo-4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),2,7,12-tetraen-12-yl)propanamide
CID 135603652
N-[7-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-4-oxo-5-(2-phenylethynyl)-3H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
CID 159618268
2,2-dimethyl-N-[6-oxo-4-[[(1S)-1-phenylethyl]amino]-1H-pyrimidin-2-yl]propanamide
CID 136627604
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
N-(8-bromo-4-oxo-3H-quinazolin-2-yl)acetamide
CID 135742304
N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135948826
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
2,2-dimethyl-N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)propanamide
CID 135911874
N-(7-benzyl-5-ethenyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135467754
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide (CID 135404112) is 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide is CC(C)(C)C(=O)Nc1nc2[nH]c(C#Cc3cccc4ccccc34)cc2c(=O)[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
The InChIKey is RYFXUANPOBXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-23(2,3)21(29)27-22-25-19-18(20(28)26-22)13-16(24-19)12-11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13H,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide?
2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(2-naphthalen-1-ylethynyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 135404112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).