1-methylpyrrolidine;pyridin-3-ylurea

C11H18N4O — CID 143564599

IUPAC1-methylpyrrolidine;pyridin-3-ylurea
SMILESCN1CCCC1.NC(=O)Nc1cccnc1
InChIInChI=1S/C6H7N3O.C5H11N/c7-6(10)9-5-2-1-3-8-4-5;1-6-4-2-3-5-6/h1-4H,(H3,7,9,10);2-5H2,1H3
InChIKeyXPWBSDPLDYTEQC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds1

About 1-methylpyrrolidine;pyridin-3-ylurea

1-methylpyrrolidine;pyridin-3-ylurea (PubChem CID 143564599) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methylpyrrolidine;pyridin-3-ylurea.

Molecular Properties

Compound Name1-methylpyrrolidine;pyridin-3-ylurea
PubChem CID143564599
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-methylpyrrolidine;pyridin-3-ylurea
SMILESCN1CCCC1.NC(=O)Nc1cccnc1
InChIInChI=1S/C6H7N3O.C5H11N/c7-6(10)9-5-2-1-3-8-4-5;1-6-4-2-3-5-6/h1-4H,(H3,7,9,10);2-5H2,1H3
InChIKeyXPWBSDPLDYTEQC-UHFFFAOYSA-N
XLogP1.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine;pyridin-3-ylurea?
The IUPAC name of 1-methylpyrrolidine;pyridin-3-ylurea (CID 143564599) is 1-methylpyrrolidine;pyridin-3-ylurea.
What is the SMILES notation for 1-methylpyrrolidine;pyridin-3-ylurea?
The canonical SMILES for 1-methylpyrrolidine;pyridin-3-ylurea is CN1CCCC1.NC(=O)Nc1cccnc1.
What is the InChIKey of 1-methylpyrrolidine;pyridin-3-ylurea?
The InChIKey is XPWBSDPLDYTEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.C5H11N/c7-6(10)9-5-2-1-3-8-4-5;1-6-4-2-3-5-6/h1-4H,(H3,7,9,10);2-5H2,1H3.
What are the key properties of 1-methylpyrrolidine;pyridin-3-ylurea?
1-methylpyrrolidine;pyridin-3-ylurea has a molecular weight of 222.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine;pyridin-3-ylurea is sourced from PubChem (CID 143564599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).