2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide

C24H28N6O2 — CID 110252149

IUPAC2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCC2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1
InChIInChI=1S/C24H28N6O2/c1-16-13-17(2)27-24(26-16)29-19-8-11-21(25-14-19)22-5-4-12-30(22)15-23(31)28-18-6-9-20(32-3)10-7-18/h6-11,13-14,22H,4-5,12,15H2,1-3H3,(H,28,31)(H,26,27,29)
InChIKeyIFIMBVKZNTYOQD-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.02
Rot. Bonds7

About 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 110252149) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID110252149
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCC2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1
InChIInChI=1S/C24H28N6O2/c1-16-13-17(2)27-24(26-16)29-19-8-11-21(25-14-19)22-5-4-12-30(22)15-23(31)28-18-6-9-20(32-3)10-7-18/h6-11,13-14,22H,4-5,12,15H2,1-3H3,(H,28,31)(H,26,27,29)
InChIKeyIFIMBVKZNTYOQD-UHFFFAOYSA-N
XLogP4.02
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide 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

2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95813297
N-(4-methoxyphenyl)-2-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832590
N-(4-methoxyphenyl)-2-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832591
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252151
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
N-(4-methoxyphenyl)-2-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide
CID 95834439
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 110252149) is 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCCC2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1.
What is the InChIKey of 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is IFIMBVKZNTYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-13-17(2)27-24(26-16)29-19-8-11-21(25-14-19)22-5-4-12-30(22)15-23(31)28-18-6-9-20(32-3)10-7-18/h6-11,13-14,22H,4-5,12,15H2,1-3H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110252149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).