1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea

C18H23N3O — CID 110360931

IUPAC1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
SMILESCCCNC(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)21(13-16-6-5-10-19-12-16)17-8-7-14(2)15(3)11-17/h5-8,10-12H,4,9,13H2,1-3H3,(H,20,22)
InChIKeyCRIBAURWMGSFIL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.82
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea

1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 110360931) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
PubChem CID110360931
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
SMILESCCCNC(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)21(13-16-6-5-10-19-12-16)17-8-7-14(2)15(3)11-17/h5-8,10-12H,4,9,13H2,1-3H3,(H,20,22)
InChIKeyCRIBAURWMGSFIL-UHFFFAOYSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 110360930
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 40694320
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea (CID 110360931) is 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea is CCCNC(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is CRIBAURWMGSFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-9-20-18(22)21(13-16-6-5-10-19-12-16)17-8-7-14(2)15(3)11-17/h5-8,10-12H,4,9,13H2,1-3H3,(H,20,22).
What are the key properties of 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea?
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 297.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110360931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).