1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea

C16H19N3O2 — CID 122146938

IUPAC1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cc(C)cc(NC(=O)NCc2ccncc2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-8-14(12(2)15(9-11)21-3)19-16(20)18-10-13-4-6-17-7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20)
InChIKeyHNQDQVUIHQIEDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea

1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 122146938) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
PubChem CID122146938
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
SMILESCOc1cc(C)cc(NC(=O)NCc2ccncc2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-8-14(12(2)15(9-11)21-3)19-16(20)18-10-13-4-6-17-7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20)
InChIKeyHNQDQVUIHQIEDA-UHFFFAOYSA-N
XLogP3.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)-3-(pyridin-4-ylmethyl)urea
CID 10380868
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963733
1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-(3-chloro-2-methylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 6470630
1-[2-(methoxymethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 47034851
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-ethyl-5-methyl-3-pyridinyl)-3-[[4-(pyridin-4-ylmethyl)phenyl]methyl]urea
CID 118301555
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50830130
1-(pyridin-4-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217097

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea (CID 122146938) is 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea is COc1cc(C)cc(NC(=O)NCc2ccncc2)c1C.
What is the InChIKey of 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is HNQDQVUIHQIEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-8-14(12(2)15(9-11)21-3)19-16(20)18-10-13-4-6-17-7-5-13/h4-9H,10H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea?
1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 122146938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).