1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea

C13H13ClN4O — CID 61292988

IUPAC1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2Cl)ncc1N
InChIInChI=1S/C13H13ClN4O/c1-8-6-12(16-7-10(8)15)18-13(19)17-11-5-3-2-4-9(11)14/h2-7H,15H2,1H3,(H2,16,17,18,19)
InChIKeyDXMGOISZOKTPQX-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea

1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea (PubChem CID 61292988) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
PubChem CID61292988
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2Cl)ncc1N
InChIInChI=1S/C13H13ClN4O/c1-8-6-12(16-7-10(8)15)18-13(19)17-11-5-3-2-4-9(11)14/h2-7H,15H2,1H3,(H2,16,17,18,19)
InChIKeyDXMGOISZOKTPQX-UHFFFAOYSA-N
XLogP3.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea (CID 61292988) is 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea is Cc1cc(NC(=O)Nc2ccccc2Cl)ncc1N.
What is the InChIKey of 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea?
The InChIKey is DXMGOISZOKTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-6-12(16-7-10(8)15)18-13(19)17-11-5-3-2-4-9(11)14/h2-7H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea?
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea has a molecular weight of 276.73 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 61292988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).