N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C17H26N6O2 — CID 138033621

IUPACN-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc(N3CCC(NC(C)=O)C3)c2C)C1
InChIInChI=1S/C17H26N6O2/c1-11-16(22-6-4-14(8-22)20-12(2)24)18-10-19-17(11)23-7-5-15(9-23)21-13(3)25/h10,14-15H,4-9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyCFUFBCRJXAPUJE-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.21
Rot. Bonds4

About N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 138033621) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID138033621
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc(N3CCC(NC(C)=O)C3)c2C)C1
InChIInChI=1S/C17H26N6O2/c1-11-16(22-6-4-14(8-22)20-12(2)24)18-10-19-17(11)23-7-5-15(9-23)21-13(3)25/h10,14-15H,4-9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyCFUFBCRJXAPUJE-UHFFFAOYSA-N
XLogP0.21
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 138033621) is N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ncnc(N3CCC(NC(C)=O)C3)c2C)C1.
What is the InChIKey of N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is CFUFBCRJXAPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11-16(22-6-4-14(8-22)20-12(2)24)18-10-19-17(11)23-7-5-15(9-23)21-13(3)25/h10,14-15H,4-9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138033621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).