ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C13H22N4O — CID 91102074

IUPACethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESCC.CNC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C11H16N4O.C2H6/c1-12-11(16)14-9-5-7-15(8-9)10-4-2-3-6-13-10;1-2/h2-4,6,9H,5,7-8H2,1H3,(H2,12,14,16);1-2H3
InChIKeyAAAJSQZPKXWCTN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds2

About ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 91102074) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Nameethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID91102074
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Nameethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESCC.CNC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C11H16N4O.C2H6/c1-12-11(16)14-9-5-7-15(8-9)10-4-2-3-6-13-10;1-2/h2-4,6,9H,5,7-8H2,1H3,(H2,12,14,16);1-2H3
InChIKeyAAAJSQZPKXWCTN-UHFFFAOYSA-N
XLogP1.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 91102074) is ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is CC.CNC(=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is AAAJSQZPKXWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C2H6/c1-12-11(16)14-9-5-7-15(8-9)10-4-2-3-6-13-10;1-2/h2-4,6,9H,5,7-8H2,1H3,(H2,12,14,16);1-2H3.
What are the key properties of ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 250.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 91102074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).