1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea

C14H14ClN3O — CID 134086734

IUPAC1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)NCc1ccccn1
InChIInChI=1S/C14H14ClN3O/c1-10-5-4-7-12(15)13(10)18-14(19)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyQULVFBRWNPMXLW-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea

1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 134086734) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID134086734
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCc1cccc(Cl)c1NC(=O)NCc1ccccn1
InChIInChI=1S/C14H14ClN3O/c1-10-5-4-7-12(15)13(10)18-14(19)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyQULVFBRWNPMXLW-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N'-(2,6-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976677
1-(2-chloro-6-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2747452
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 112977163
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999251
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
(1R,2S,3R,4S)-3-N-(2,6-dimethylphenyl)-2-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11878663
(1S,2S,3S,4S)-3-N-(2,6-dimethylphenyl)-2-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 23231975
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea (CID 134086734) is 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea is Cc1cccc(Cl)c1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is QULVFBRWNPMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-5-4-7-12(15)13(10)18-14(19)17-9-11-6-2-3-8-16-11/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 134086734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).