N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide

C25H26N8O3 — CID 123311160

IUPACN-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(Nc3ncc(C)c(N(c4cnco4)c4ccccc4O)n3)cn2)C1
InChIInChI=1S/C25H26N8O3/c1-16-11-28-25(30-18-7-8-22(27-12-18)32-10-9-19(14-32)29-17(2)34)31-24(16)33(23-13-26-15-36-23)20-5-3-4-6-21(20)35/h3-8,11-13,15,19,35H,9-10,14H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyGMJOPNOEDDLODQ-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.80
Rot. Bonds7

About N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 123311160) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID123311160
Molecular FormulaC25H26N8O3
Molecular Weight486.54 g/mol
Exact Mass486.21
IUPAC NameN-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(Nc3ncc(C)c(N(c4cnco4)c4ccccc4O)n3)cn2)C1
InChIInChI=1S/C25H26N8O3/c1-16-11-28-25(30-18-7-8-22(27-12-18)32-10-9-19(14-32)29-17(2)34)31-24(16)33(23-13-26-15-36-23)20-5-3-4-6-21(20)35/h3-8,11-13,15,19,35H,9-10,14H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyGMJOPNOEDDLODQ-UHFFFAOYSA-N
XLogP3.80
TPSA132.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-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

Related Compounds

N-methyl-2-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]benzamide
CID 25122370
N-[1-[5-amino-6-(dimethylamino)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 22598704
N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 142767264
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
N-[(3R)-1-[5-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 136759903
N-[(3S)-1-[2-(4-chloro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332116
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 123311160) is N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc(Nc3ncc(C)c(N(c4cnco4)c4ccccc4O)n3)cn2)C1.
What is the InChIKey of N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GMJOPNOEDDLODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c1-16-11-28-25(30-18-7-8-22(27-12-18)32-10-9-19(14-32)29-17(2)34)31-24(16)33(23-13-26-15-36-23)20-5-3-4-6-21(20)35/h3-8,11-13,15,19,35H,9-10,14H2,1-2H3,(H,29,34)(H,28,30,31).
What are the key properties of N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 486.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 123311160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).