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

C16H25N5O3 — CID 97452959

IUPAC1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
SMILESCN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc[nH]c1=O
InChIInChI=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
InChIKeySULWJPSIMWFYTR-LBPRGKRZSA-N
MW335.41 g/mol
LogP0.44
Rot. Bonds7

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 Name1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
PubChem CID97452959
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)urea
SMILESCN(C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc[nH]c1=O
InChIInChI=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
InChIKeySULWJPSIMWFYTR-LBPRGKRZSA-N
XLogP0.44
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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).