3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea

C15H18N4O — CID 61341441

IUPAC3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea
SMILESCC(N)c1ccc(NC(=O)N(C)c2ccccn2)cc1
InChIInChI=1S/C15H18N4O/c1-11(16)12-6-8-13(9-7-12)18-15(20)19(2)14-5-3-4-10-17-14/h3-11H,16H2,1-2H3,(H,18,20)
InChIKeyUYQZEUVCNGVQGG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.77
Rot. Bonds3

About 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea

3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea (PubChem CID 61341441) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea
PubChem CID61341441
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea
SMILESCC(N)c1ccc(NC(=O)N(C)c2ccccn2)cc1
InChIInChI=1S/C15H18N4O/c1-11(16)12-6-8-13(9-7-12)18-15(20)19(2)14-5-3-4-10-17-14/h3-11H,16H2,1-2H3,(H,18,20)
InChIKeyUYQZEUVCNGVQGG-UHFFFAOYSA-N
XLogP2.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea?
The IUPAC name of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea (CID 61341441) is 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea.
What is the SMILES notation for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea?
The canonical SMILES for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea is CC(N)c1ccc(NC(=O)N(C)c2ccccn2)cc1.
What is the InChIKey of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea?
The InChIKey is UYQZEUVCNGVQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(16)12-6-8-13(9-7-12)18-15(20)19(2)14-5-3-4-10-17-14/h3-11H,16H2,1-2H3,(H,18,20).
What are the key properties of 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea?
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea has a molecular weight of 270.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pyridin-2-ylurea is sourced from PubChem (CID 61341441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).