N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide

C13H20N4O — CID 164642127

IUPACN-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide
SMILESCCCNC(=O)CN1CC[C@H](c2ncccn2)C1
InChIInChI=1S/C13H20N4O/c1-2-5-14-12(18)10-17-8-4-11(9-17)13-15-6-3-7-16-13/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyWXSPUJKELUHTTD-NSHDSACASA-N
MW248.33 g/mol
LogP0.79
Rot. Bonds5

About N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide

N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 164642127) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide
PubChem CID164642127
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide
SMILESCCCNC(=O)CN1CC[C@H](c2ncccn2)C1
InChIInChI=1S/C13H20N4O/c1-2-5-14-12(18)10-17-8-4-11(9-17)13-15-6-3-7-16-13/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeyWXSPUJKELUHTTD-NSHDSACASA-N
XLogP0.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide (CID 164642127) is N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide is CCCNC(=O)CN1CC[C@H](c2ncccn2)C1.
What is the InChIKey of N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is WXSPUJKELUHTTD-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-14-12(18)10-17-8-4-11(9-17)13-15-6-3-7-16-13/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide?
N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3S)-3-pyrimidin-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 164642127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).