1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

C22H28N4O2 — CID 125170292

IUPAC1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESCc1cccc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C22H28N4O2/c1-16-6-5-7-20(23-16)14-17(2)24-22(28)25-19-10-8-18(9-11-19)15-21(27)26-12-3-4-13-26/h5-11,17H,3-4,12-15H2,1-2H3,(H2,24,25,28)/t17-/m0/s1
InChIKeyWJPHVOSYIDKBME-KRWDZBQOSA-N
MW380.49 g/mol
LogP3.31
Rot. Bonds6

About 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea

1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (PubChem CID 125170292) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
PubChem CID125170292
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
SMILESCc1cccc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C22H28N4O2/c1-16-6-5-7-20(23-16)14-17(2)24-22(28)25-19-10-8-18(9-11-19)15-21(27)26-12-3-4-13-26/h5-11,17H,3-4,12-15H2,1-2H3,(H2,24,25,28)/t17-/m0/s1
InChIKeyWJPHVOSYIDKBME-KRWDZBQOSA-N
XLogP3.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 125164936
1-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 97454459
1-[(2S)-3-methylbutan-2-yl]-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 94655505
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
1-[(1-hydroxycyclohexyl)methyl]-3-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]urea
CID 126443757
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55851140
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
CID 91837939
7-(hydroxymethyl)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126423564
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea (CID 125170292) is 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is Cc1cccc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
The InChIKey is WJPHVOSYIDKBME-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-5-7-20(23-16)14-17(2)24-22(28)25-19-10-8-18(9-11-19)15-21(27)26-12-3-4-13-26/h5-11,17H,3-4,12-15H2,1-2H3,(H2,24,25,28)/t17-/m0/s1.
What are the key properties of 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea?
1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea has a molecular weight of 380.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea is sourced from PubChem (CID 125170292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).