1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

C20H24N4O2 — CID 97275872

IUPAC1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1
InChIInChI=1S/C20H24N4O2/c1-13-9-14(2)21-15(3)19(13)23-20(26)22-17-10-18(25)24(12-17)11-16-7-5-4-6-8-16/h4-9,17H,10-12H2,1-3H3,(H2,22,23,26)/t17-/m0/s1
InChIKeyHYHQXFCACDIKTA-KRWDZBQOSA-N
MW352.44 g/mol
LogP2.93
Rot. Bonds4

About 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (PubChem CID 97275872) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
PubChem CID97275872
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1
InChIInChI=1S/C20H24N4O2/c1-13-9-14(2)21-15(3)19(13)23-20(26)22-17-10-18(25)24(12-17)11-16-7-5-4-6-8-16/h4-9,17H,10-12H2,1-3H3,(H2,22,23,26)/t17-/m0/s1
InChIKeyHYHQXFCACDIKTA-KRWDZBQOSA-N
XLogP2.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea with MolForge

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Related Compounds

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-methylpyridine-2-carboxamide
CID 95594104
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The IUPAC name of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (CID 97275872) is 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is Cc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1.
What is the InChIKey of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The InChIKey is HYHQXFCACDIKTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-9-14(2)21-15(3)19(13)23-20(26)22-17-10-18(25)24(12-17)11-16-7-5-4-6-8-16/h4-9,17H,10-12H2,1-3H3,(H2,22,23,26)/t17-/m0/s1.
What are the key properties of 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea has a molecular weight of 352.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is sourced from PubChem (CID 97275872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).