N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide

C13H15N5O — CID 112595449

IUPACN-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(C#N)c1C#N
InChIInChI=1S/C13H15N5O/c1-9(13(19)17-10-4-2-3-5-10)18-8-16-11(6-14)12(18)7-15/h8-10H,2-5H2,1H3,(H,17,19)
InChIKeySYLVVUOULIGWGT-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.25
Rot. Bonds3

About N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide

N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide (PubChem CID 112595449) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide
PubChem CID112595449
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(C#N)c1C#N
InChIInChI=1S/C13H15N5O/c1-9(13(19)17-10-4-2-3-5-10)18-8-16-11(6-14)12(18)7-15/h8-10H,2-5H2,1H3,(H,17,19)
InChIKeySYLVVUOULIGWGT-UHFFFAOYSA-N
XLogP1.25
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide (CID 112595449) is N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide is CC(C(=O)NC1CCCC1)n1cnc(C#N)c1C#N.
What is the InChIKey of N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide?
The InChIKey is SYLVVUOULIGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(13(19)17-10-4-2-3-5-10)18-8-16-11(6-14)12(18)7-15/h8-10H,2-5H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide?
N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide has a molecular weight of 257.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide is sourced from PubChem (CID 112595449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).