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

C19H25N3O — CID 110360929

IUPAC1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N3O/c1-5-21(6-2)19(23)22(14-17-8-7-11-20-13-17)18-10-9-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3
InChIKeyAABQYZNQKFFGML-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.17
Rot. Bonds5

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

1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 110360929) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
PubChem CID110360929
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
SMILESCCN(CC)C(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N3O/c1-5-21(6-2)19(23)22(14-17-8-7-11-20-13-17)18-10-9-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3
InChIKeyAABQYZNQKFFGML-UHFFFAOYSA-N
XLogP4.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 110360931
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 110360930
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea (CID 110360929) is 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea is CCN(CC)C(=O)N(Cc1cccnc1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is AABQYZNQKFFGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-21(6-2)19(23)22(14-17-8-7-11-20-13-17)18-10-9-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea?
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 311.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110360929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).