1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea

C18H24N4O3 — CID 95107286

IUPAC1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESCCOc1ccc(CN2CC[C@H](NC(=O)NCc3ccco3)C2)cn1
InChIInChI=1S/C18H24N4O3/c1-2-24-17-6-5-14(10-19-17)12-22-8-7-15(13-22)21-18(23)20-11-16-4-3-9-25-16/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyVIDPZOHPZLMFMG-HNNXBMFYSA-N
MW344.42 g/mol
LogP2.15
Rot. Bonds7

About 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea

1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea (PubChem CID 95107286) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
PubChem CID95107286
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
SMILESCCOc1ccc(CN2CC[C@H](NC(=O)NCc3ccco3)C2)cn1
InChIInChI=1S/C18H24N4O3/c1-2-24-17-6-5-14(10-19-17)12-22-8-7-15(13-22)21-18(23)20-11-16-4-3-9-25-16/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H2,20,21,23)/t15-/m0/s1
InChIKeyVIDPZOHPZLMFMG-HNNXBMFYSA-N
XLogP2.15
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
1-(1-benzylpyrrolidin-3-yl)-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55921755
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
N-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 95107295
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
1-(furan-2-ylmethyl)-3-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
CID 91910732
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea (CID 95107286) is 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea is CCOc1ccc(CN2CC[C@H](NC(=O)NCc3ccco3)C2)cn1.
What is the InChIKey of 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
The InChIKey is VIDPZOHPZLMFMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-24-17-6-5-14(10-19-17)12-22-8-7-15(13-22)21-18(23)20-11-16-4-3-9-25-16/h3-6,9-10,15H,2,7-8,11-13H2,1H3,(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea?
1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea has a molecular weight of 344.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 95107286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).