N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide

C17H23N5O2 — CID 130182395

IUPACN-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide
SMILESCCCc1nc(N2CCCC2)cc(=O)n1CC(=O)NC1(C#N)CC1
InChIInChI=1S/C17H23N5O2/c1-2-5-13-19-14(21-8-3-4-9-21)10-16(24)22(13)11-15(23)20-17(12-18)6-7-17/h10H,2-9,11H2,1H3,(H,20,23)
InChIKeyOAASFDAATBRLOS-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.97
Rot. Bonds6

About N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide

N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide (PubChem CID 130182395) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide
PubChem CID130182395
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide
SMILESCCCc1nc(N2CCCC2)cc(=O)n1CC(=O)NC1(C#N)CC1
InChIInChI=1S/C17H23N5O2/c1-2-5-13-19-14(21-8-3-4-9-21)10-16(24)22(13)11-15(23)20-17(12-18)6-7-17/h10H,2-9,11H2,1H3,(H,20,23)
InChIKeyOAASFDAATBRLOS-UHFFFAOYSA-N
XLogP0.97
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide (CID 130182395) is N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide is CCCc1nc(N2CCCC2)cc(=O)n1CC(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide?
The InChIKey is OAASFDAATBRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-5-13-19-14(21-8-3-4-9-21)10-16(24)22(13)11-15(23)20-17(12-18)6-7-17/h10H,2-9,11H2,1H3,(H,20,23).
What are the key properties of N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide?
N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-(6-oxo-2-propyl-4-pyrrolidin-1-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 130182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).