1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H20N4O3 — CID 86987743

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-25-17-13(4-2-10-19-17)12-20-18(24)21-14-6-8-15(9-7-14)22-11-3-5-16(22)23/h2,4,6-10H,3,5,11-12H2,1H3,(H2,20,21,24)
InChIKeyVLBVRTPEQMNDQG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.54
Rot. Bonds5

About 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 86987743) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID86987743
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-25-17-13(4-2-10-19-17)12-20-18(24)21-14-6-8-15(9-7-14)22-11-3-5-16(22)23/h2,4,6-10H,3,5,11-12H2,1H3,(H2,20,21,24)
InChIKeyVLBVRTPEQMNDQG-UHFFFAOYSA-N
XLogP2.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695718
N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679209
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47041898
(E)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55677552
1-[4-[(1S)-1-[(2-ethoxy-3-pyridinyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97229902
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 118791683
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 86987743) is 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is COc1ncccc1CNC(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is VLBVRTPEQMNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-17-13(4-2-10-19-17)12-20-18(24)21-14-6-8-15(9-7-14)22-11-3-5-16(22)23/h2,4,6-10H,3,5,11-12H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 340.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 86987743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).