1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea

C16H19N3O — CID 110360355

IUPAC1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1cccc(N(Cc2cccnc2)C(=O)N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-13-6-4-8-15(10-13)19(16(20)18(2)3)12-14-7-5-9-17-11-14/h4-11H,12H2,1-3H3
InChIKeyCJPIMNBSCPMGJE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds3

About 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea

1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 110360355) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID110360355
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1cccc(N(Cc2cccnc2)C(=O)N(C)C)c1
InChIInChI=1S/C16H19N3O/c1-13-6-4-8-15(10-13)19(16(20)18(2)3)12-14-7-5-9-17-11-14/h4-11H,12H2,1-3H3
InChIKeyCJPIMNBSCPMGJE-UHFFFAOYSA-N
XLogP3.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethoxy-N-(3-methylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360333
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716
3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
CID 86971783
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-(3-methylphenyl)-N-pyridin-3-ylacetamide
CID 20820139
2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
CID 58337531
1-methyl-3-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 8683425
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 110360355) is 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea is Cc1cccc(N(Cc2cccnc2)C(=O)N(C)C)c1.
What is the InChIKey of 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is CJPIMNBSCPMGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-6-4-8-15(10-13)19(16(20)18(2)3)12-14-7-5-9-17-11-14/h4-11H,12H2,1-3H3.
What are the key properties of 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110360355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).