N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide

C12H17N3O3 — CID 108788640

IUPACN-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-10(13-9-3-1-2-4-9)5-7-15-8-6-11(17)14-12(15)18/h6,8-9H,1-5,7H2,(H,13,16)(H,14,17,18)
InChIKeyPMQUBKUSKAPFIV-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.01
Rot. Bonds4

About N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108788640) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108788640
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)NC1CCCC1
InChIInChI=1S/C12H17N3O3/c16-10(13-9-3-1-2-4-9)5-7-15-8-6-11(17)14-12(15)18/h6,8-9H,1-5,7H2,(H,13,16)(H,14,17,18)
InChIKeyPMQUBKUSKAPFIV-UHFFFAOYSA-N
XLogP-0.01
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
CID 154888784
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
3-(2,4-dioxopyrimidin-1-yl)-N-(4-pyridin-2-yloxycyclohexyl)propanamide
CID 91625957
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
3-(2,4-dioxopyrimidin-1-yl)-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 108788659
3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
CID 77081382
6-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 108788654
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 98184565
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91771547
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108788640) is N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide is O=C(CCn1ccc(=O)[nH]c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is PMQUBKUSKAPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10(13-9-3-1-2-4-9)5-7-15-8-6-11(17)14-12(15)18/h6,8-9H,1-5,7H2,(H,13,16)(H,14,17,18).
What are the key properties of N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 251.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108788640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).