N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C16H20N4O2 — CID 70754891

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-15(22-10)13-8-20(9-14(13)19-12(3)21)16-6-7-17-11(2)18-16/h4-7,13-14H,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyGCHPUCCVKGLZEG-ZIAGYGMSSA-N
MW300.36 g/mol
LogP1.79
Rot. Bonds3

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70754891) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID70754891
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H20N4O2/c1-10-4-5-15(22-10)13-8-20(9-14(13)19-12(3)21)16-6-7-17-11(2)18-16/h4-7,13-14H,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyGCHPUCCVKGLZEG-ZIAGYGMSSA-N
XLogP1.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 70754891) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is GCHPUCCVKGLZEG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-4-5-15(22-10)13-8-20(9-14(13)19-12(3)21)16-6-7-17-11(2)18-16/h4-7,13-14H,8-9H2,1-3H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70754891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).