1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea

C15H16ClN3O — CID 108900861

IUPAC1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C15H16ClN3O/c1-11-3-2-4-12(9-11)5-7-18-15(20)19-14-10-13(16)6-8-17-14/h2-4,6,8-10H,5,7H2,1H3,(H2,17,18,19,20)
InChIKeyVMLJRIONWNBFTM-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea

1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea (PubChem CID 108900861) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
PubChem CID108900861
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C15H16ClN3O/c1-11-3-2-4-12(9-11)5-7-18-15(20)19-14-10-13(16)6-8-17-14/h2-4,6,8-10H,5,7H2,1H3,(H2,17,18,19,20)
InChIKeyVMLJRIONWNBFTM-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 75477406
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
CID 108897307
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea (CID 108900861) is 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea is Cc1cccc(CCNC(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea?
The InChIKey is VMLJRIONWNBFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11-3-2-4-12(9-11)5-7-18-15(20)19-14-10-13(16)6-8-17-14/h2-4,6,8-10H,5,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea?
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea has a molecular weight of 289.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 108900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).