3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea

C19H30N4O2 — CID 96538465

IUPAC3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](c1ccncc1)N(CC)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-6-16(14-8-10-20-11-9-14)22(7-2)18(25)21-15-12-17(24)23(13-15)19(3,4)5/h8-11,15-16H,6-7,12-13H2,1-5H3,(H,21,25)/t15-,16+/m0/s1
InChIKeyFXBYLAUQFZGIOB-JKSUJKDBSA-N
MW346.48 g/mol
LogP2.96
Rot. Bonds5

About 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea

3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea (PubChem CID 96538465) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea.

Molecular Properties

Compound Name3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea
PubChem CID96538465
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](c1ccncc1)N(CC)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-6-16(14-8-10-20-11-9-14)22(7-2)18(25)21-15-12-17(24)23(13-15)19(3,4)5/h8-11,15-16H,6-7,12-13H2,1-5H3,(H,21,25)/t15-,16+/m0/s1
InChIKeyFXBYLAUQFZGIOB-JKSUJKDBSA-N
XLogP2.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea with MolForge

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Related Compounds

Norcotinine
CID 413
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
Demethylcotinine
CID 92223
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44311349
3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 24819620
1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 24820064
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 663728
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
1-Phenyl-8-pyridin-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9797246

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea?
The IUPAC name of 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea (CID 96538465) is 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea.
What is the SMILES notation for 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea?
The canonical SMILES for 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea is CC[C@H](c1ccncc1)N(CC)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea?
The InChIKey is FXBYLAUQFZGIOB-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-6-16(14-8-10-20-11-9-14)22(7-2)18(25)21-15-12-17(24)23(13-15)19(3,4)5/h8-11,15-16H,6-7,12-13H2,1-5H3,(H,21,25)/t15-,16+/m0/s1.
What are the key properties of 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea?
3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]-1-ethyl-1-[(1R)-1-pyridin-4-ylpropyl]urea is sourced from PubChem (CID 96538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).