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

C18H28N4O3 — CID 164633020

IUPAC1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)N[C@H]2CCN(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)/t14-/m0/s1
InChIKeyFWVSXJSHTRXEPJ-AWEZNQCLSA-N
MW348.45 g/mol
LogP1.37
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 164633020) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID164633020
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)N[C@H]2CCN(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)/t14-/m0/s1
InChIKeyFWVSXJSHTRXEPJ-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 164633020) is 1-(2-methoxyethyl)-N-[(3S)-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-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is COCCC1(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[nH]3)C2)CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is FWVSXJSHTRXEPJ-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-(2-methoxyethyl)-N-[(3S)-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-[(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 164633020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).