N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide

C13H19N3O2 — CID 39004981

IUPACN-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O2/c17-12(10-16-9-5-8-14-13(16)18)15-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,15,17)
InChIKeyKHXIWVUXNHXXPF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.08
Rot. Bonds3

About N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide

N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39004981) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39004981
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O2/c17-12(10-16-9-5-8-14-13(16)18)15-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,15,17)
InChIKeyKHXIWVUXNHXXPF-UHFFFAOYSA-N
XLogP1.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{2-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-9-yl]-2-oxoethyl}pyrimidin-2(1H)-one
CID 74248629
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
1-cyclohexyl-3-(2H-pyrimidin-1-yl)piperazin-2-one
CID 69968328
N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39005501
N-butyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 39889719
N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39892134
N-(2-oxoazepan-3-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 45818882
N-cyclopropyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 60747930
1-[2-(Heptan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562236
1-[2-(Cycloheptylamino)ethyl]pyrimidin-2-one
CID 62562768
N-[(3R)-2-oxoazepan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 93615485
N-[(3S)-2-oxoazepan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 93615486

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide (CID 39004981) is N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is KHXIWVUXNHXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(10-16-9-5-8-14-13(16)18)15-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,15,17).
What are the key properties of N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39004981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).