1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea

C16H25N5O3 — CID 97452959

About 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea

1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea (PubChem CID 97452959) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea.

Molecular Properties

• Compound Name: 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
• PubChem CID: 97452959
• Molecular Formula: C16H25N5O3
• Molecular Weight: 335.41 g/mol
• Exact Mass: 335.20
• IUPAC Name: 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
• SMILES: CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc[nH]c1=O
• InChI: InChI=1S/C16H25N5O3/c1-20(2)10-11-21-12(5-6-14(21)22)7-9-18-16(24)19-13-4-3-8-17-15(13)23/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,17,23)(H2,18,19,24)/t12-/m0/s1
• InChIKey: SULWJPSIMWFYTR-LBPRGKRZSA-N
• XLogP: 0.44
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.41
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea?

The IUPAC name of 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea (CID 97452959) is 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea.

What is the SMILES notation for 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea?

The canonical SMILES for 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea is CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc[nH]c1=O.

What is the InChIKey of 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea?

The InChIKey is SULWJPSIMWFYTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-20(2)10-11-21-12(5-6-14(21)22)7-9-18-16(24)19-13-4-3-8-17-15(13)23/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,17,23)(H2,18,19,24)/t12-/m0/s1.

What are the key properties of 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea?

1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea is sourced from PubChem (CID 97452959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).