1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea

C17H18N4O2 — CID 95980251

IUPAC1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
SMILESCN(C(=O)Nc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N4O2/c1-20(17(23)19-13-7-10-18-11-8-13)15-9-12-21(16(15)22)14-5-3-2-4-6-14/h2-8,10-11,15H,9,12H2,1H3,(H,18,19,23)/t15-/m0/s1
InChIKeyVUIKABUFZWMAQE-HNNXBMFYSA-N
MW310.36 g/mol
LogP2.35
Rot. Bonds3

About 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea

1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea (PubChem CID 95980251) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
PubChem CID95980251
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
SMILESCN(C(=O)Nc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N4O2/c1-20(17(23)19-13-7-10-18-11-8-13)15-9-12-21(16(15)22)14-5-3-2-4-6-14/h2-8,10-11,15H,9,12H2,1H3,(H,18,19,23)/t15-/m0/s1
InChIKeyVUIKABUFZWMAQE-HNNXBMFYSA-N
XLogP2.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95630430
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71875837
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71862647
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 95618514
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
CID 102557345
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea?
The IUPAC name of 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea (CID 95980251) is 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea is CN(C(=O)Nc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea?
The InChIKey is VUIKABUFZWMAQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20(17(23)19-13-7-10-18-11-8-13)15-9-12-21(16(15)22)14-5-3-2-4-6-14/h2-8,10-11,15H,9,12H2,1H3,(H,18,19,23)/t15-/m0/s1.
What are the key properties of 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea?
1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea has a molecular weight of 310.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea is sourced from PubChem (CID 95980251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).