1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea

C18H22N4O4 — CID 125162716

IUPAC1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NC[C@]2(O)CCNC2)cn1
InChIInChI=1S/C18H22N4O4/c1-25-14-4-2-3-5-15(14)26-16-7-6-13(10-20-16)22-17(23)21-12-18(24)8-9-19-11-18/h2-7,10,19,24H,8-9,11-12H2,1H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyQIQVDCWAXDBEJV-SFHVURJKSA-N
MW358.40 g/mol
LogP1.73
Rot. Bonds6

About 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea

1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea (PubChem CID 125162716) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
PubChem CID125162716
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea
SMILESCOc1ccccc1Oc1ccc(NC(=O)NC[C@]2(O)CCNC2)cn1
InChIInChI=1S/C18H22N4O4/c1-25-14-4-2-3-5-15(14)26-16-7-6-13(10-20-16)22-17(23)21-12-18(24)8-9-19-11-18/h2-7,10,19,24H,8-9,11-12H2,1H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyQIQVDCWAXDBEJV-SFHVURJKSA-N
XLogP1.73
TPSA104.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169385
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118763888
1-(3-butoxyphenyl)-3-[(3-hydroxypyrrolidin-3-yl)methyl]urea
CID 118785673
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea (CID 125162716) is 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea is COc1ccccc1Oc1ccc(NC(=O)NC[C@]2(O)CCNC2)cn1.
What is the InChIKey of 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea?
The InChIKey is QIQVDCWAXDBEJV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-14-4-2-3-5-15(14)26-16-7-6-13(10-20-16)22-17(23)21-12-18(24)8-9-19-11-18/h2-7,10,19,24H,8-9,11-12H2,1H3,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea?
1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea has a molecular weight of 358.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[6-(2-methoxyphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 125162716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).