1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea

C14H14ClN3O — CID 2813394

IUPAC1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-9-6-7-11(8-12(9)15)17-14(19)18-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyYHDYUTUHKMYDMG-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.00
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea

1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 2813394) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID2813394
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O/c1-9-6-7-11(8-12(9)15)17-14(19)18-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyYHDYUTUHKMYDMG-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea (CID 2813394) is 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is YHDYUTUHKMYDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-6-7-11(8-12(9)15)17-14(19)18-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea?
1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 275.74 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 2813394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).