N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

C17H26N4O3 — CID 70750967

IUPACN-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C(C)C
InChIInChI=1S/C17H26N4O3/c1-10(2)14-7-20(8-15(14)19-13(5)22)16(23)9-21-12(4)6-11(3)18-17(21)24/h6,10,14-15H,7-9H2,1-5H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyCPTFESLOKLPZME-LSDHHAIUSA-N
MW334.42 g/mol
LogP0.48
Rot. Bonds4

About N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (PubChem CID 70750967) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
PubChem CID70750967
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C(C)C
InChIInChI=1S/C17H26N4O3/c1-10(2)14-7-20(8-15(14)19-13(5)22)16(23)9-21-12(4)6-11(3)18-17(21)24/h6,10,14-15H,7-9H2,1-5H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyCPTFESLOKLPZME-LSDHHAIUSA-N
XLogP0.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide (CID 70750967) is N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
The InChIKey is CPTFESLOKLPZME-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10(2)14-7-20(8-15(14)19-13(5)22)16(23)9-21-12(4)6-11(3)18-17(21)24/h6,10,14-15H,7-9H2,1-5H3,(H,19,22)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70750967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).