1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea

C17H18N4O2 — CID 134056865

IUPAC1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H18N4O2/c22-16-7-3-9-21(16)15-6-1-5-14(10-15)20-17(23)19-12-13-4-2-8-18-11-13/h1-2,4-6,8,10-11H,3,7,9,12H2,(H2,19,20,23)
InChIKeyHHGAUZGCRBMVNQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.53
Rot. Bonds4

About 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 134056865) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID134056865
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H18N4O2/c22-16-7-3-9-21(16)15-6-1-5-14(10-15)20-17(23)19-12-13-4-2-8-18-11-13/h1-2,4-6,8,10-11H,3,7,9,12H2,(H2,19,20,23)
InChIKeyHHGAUZGCRBMVNQ-UHFFFAOYSA-N
XLogP2.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 51125155
1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
1-(2-benzylsulfanylethyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 72845040
N-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea (CID 134056865) is 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is HHGAUZGCRBMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16-7-3-9-21(16)15-6-1-5-14(10-15)20-17(23)19-12-13-4-2-8-18-11-13/h1-2,4-6,8,10-11H,3,7,9,12H2,(H2,19,20,23).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 310.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 134056865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).