N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C18H20N4O — CID 166365473

IUPACN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMUIWQYUOLISOG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.40
Rot. Bonds5

About N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166365473) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166365473
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMUIWQYUOLISOG-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide 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-[2-(2,2-dimethylpentanoylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365569
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244380
N-[4-[(2-hydroxy-2-methylpentanoyl)amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365528
ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
2-phenylhexan-2-ylurea
CID 121306915
N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166336925
N-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166244264
4-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122059153
(3S)-3-(2-chlorophenyl)-3-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)propanoic acid
CID 176730473
(3R)-3-(4-fluorophenyl)-3-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)propanoic acid
CID 171389863
3-methoxy-4-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonylamino)methyl]benzoic acid
CID 155962841
4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 58691728

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166365473) is N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1.
What is the InChIKey of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is FMUIWQYUOLISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166365473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).