1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

C16H19N3O — CID 40637085

IUPAC1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-4-5-15(12(2)10-11)19-16(20)18-13(3)14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyWYDJZBQXDODOFO-CYBMUJFWSA-N
MW269.35 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (PubChem CID 40637085) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
PubChem CID40637085
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-11-4-5-15(12(2)10-11)19-16(20)18-13(3)14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyWYDJZBQXDODOFO-CYBMUJFWSA-N
XLogP3.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 47195644
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40635753
methyl 2-[(2,4-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 3567135
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (CID 40637085) is 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is Cc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The InChIKey is WYDJZBQXDODOFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-5-15(12(2)10-11)19-16(20)18-13(3)14-6-8-17-9-7-14/h4-10,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea has a molecular weight of 269.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 40637085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).