1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea

C19H24N4O2 — CID 124829856

IUPAC1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-13-9-11-23(3)18(24)16(13)21-19(25)20-15-10-12-22(2)17(15)14-7-5-4-6-8-14/h4-9,11,15,17H,10,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1
InChIKeyTVLRZIIMRUIOFQ-WBVHZDCISA-N
MW340.43 g/mol
LogP2.26
Rot. Bonds3

About 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea

1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea (PubChem CID 124829856) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
PubChem CID124829856
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-13-9-11-23(3)18(24)16(13)21-19(25)20-15-10-12-22(2)17(15)14-7-5-4-6-8-14/h4-9,11,15,17H,10,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1
InChIKeyTVLRZIIMRUIOFQ-WBVHZDCISA-N
XLogP2.26
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea (CID 124829856) is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea is Cc1ccn(C)c(=O)c1NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1.
What is the InChIKey of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The InChIKey is TVLRZIIMRUIOFQ-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-9-11-23(3)18(24)16(13)21-19(25)20-15-10-12-22(2)17(15)14-7-5-4-6-8-14/h4-9,11,15,17H,10,12H2,1-3H3,(H2,20,21,25)/t15-,17+/m1/s1.
What are the key properties of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124829856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).