1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea

C12H17N3O2 — CID 94120386

IUPAC1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
SMILESC[C@H](NC(=O)Nc1ccccn1)[C@@H]1CCCO1
InChIInChI=1S/C12H17N3O2/c1-9(10-5-4-8-17-10)14-12(16)15-11-6-2-3-7-13-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1
InChIKeyCQFYOPXSQSRGRY-UWVGGRQHSA-N
MW235.29 g/mol
LogP1.77
Rot. Bonds3

About 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea

1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea (PubChem CID 94120386) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
PubChem CID94120386
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
SMILESC[C@H](NC(=O)Nc1ccccn1)[C@@H]1CCCO1
InChIInChI=1S/C12H17N3O2/c1-9(10-5-4-8-17-10)14-12(16)15-11-6-2-3-7-13-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1
InChIKeyCQFYOPXSQSRGRY-UWVGGRQHSA-N
XLogP1.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94028744
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95568574
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 3246785
3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
2-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62242671
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
(2S)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 124839889
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea (CID 94120386) is 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea is C[C@H](NC(=O)Nc1ccccn1)[C@@H]1CCCO1.
What is the InChIKey of 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea?
The InChIKey is CQFYOPXSQSRGRY-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(10-5-4-8-17-10)14-12(16)15-11-6-2-3-7-13-11/h2-3,6-7,9-10H,4-5,8H2,1H3,(H2,13,14,15,16)/t9-,10-/m0/s1.
What are the key properties of 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea?
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94120386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).