1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C18H28N4O3 — CID 136559547

IUPAC1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CCCC1
InChIInChI=1S/C18H28N4O3/c1-13-11-15(23)21-17(19-13)22-9-5-14(12-22)20-16(24)18(8-10-25-2)6-3-4-7-18/h11,14H,3-10,12H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyFWVSXJSHTRXEPJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.37
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 136559547) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID136559547
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CCCC1
InChIInChI=1S/C18H28N4O3/c1-13-11-15(23)21-17(19-13)22-9-5-14(12-22)20-16(24)18(8-10-25-2)6-3-4-7-18/h11,14H,3-10,12H2,1-2H3,(H,20,24)(H,19,21,23)
InChIKeyFWVSXJSHTRXEPJ-UHFFFAOYSA-N
XLogP1.37
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 164633020
2-cyclohexyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 136559544
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
2-hydroxy-N-[1-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 136571000
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-3-[4-(2H-tetrazol-5-yl)anilino]benzamide
CID 167771011
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
CID 136662623
1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 75382089
1-(2-methoxyethyl)-N-piperidin-4-ylcyclobutane-1-carboxamide;hydrochloride
CID 119389324
2-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136666195
N-[(3R)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]-1-propylcyclopropane-1-carboxamide
CID 154803149

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 136559547) is 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is COCCC1(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is FWVSXJSHTRXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-11-15(23)21-17(19-13)22-9-5-14(12-22)20-16(24)18(8-10-25-2)6-3-4-7-18/h11,14H,3-10,12H2,1-2H3,(H,20,24)(H,19,21,23).
What are the key properties of 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 136559547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).