N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C16H22N4O4 — CID 77097540

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O4/c1-19(15(23)12-7-17-16(24)18-14(12)22)8-10-6-13(21)20(9-10)11-4-2-3-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,17,18,22,24)
InChIKeyGWNXVHUTRXVOQD-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.07
Rot. Bonds4

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 77097540) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID77097540
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O4/c1-19(15(23)12-7-17-16(24)18-14(12)22)8-10-6-13(21)20(9-10)11-4-2-3-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,17,18,22,24)
InChIKeyGWNXVHUTRXVOQD-UHFFFAOYSA-N
XLogP-0.07
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 124757384
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
CID 131947635
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 126448423
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 131906921
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 77097540) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN(CC1CC(=O)N(C2CCCC2)C1)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GWNXVHUTRXVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19(15(23)12-7-17-16(24)18-14(12)22)8-10-6-13(21)20(9-10)11-4-2-3-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,17,18,22,24).
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 77097540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).