1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

C16H19ClN4O2 — CID 75435298

IUPAC1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(N(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-21(2)15-6-4-5-11(19-15)10-18-16(22)20-14-8-7-12(23-3)9-13(14)17/h4-9H,10H2,1-3H3,(H2,18,20,22)
InChIKeyNHEXEBUCVLPZPI-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (PubChem CID 75435298) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
PubChem CID75435298
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(N(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H19ClN4O2/c1-21(2)15-6-4-5-11(19-15)10-18-16(22)20-14-8-7-12(23-3)9-13(14)17/h4-9H,10H2,1-3H3,(H2,18,20,22)
InChIKeyNHEXEBUCVLPZPI-UHFFFAOYSA-N
XLogP3.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (CID 75435298) is 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is COc1ccc(NC(=O)NCc2cccc(N(C)C)n2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The InChIKey is NHEXEBUCVLPZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-21(2)15-6-4-5-11(19-15)10-18-16(22)20-14-8-7-12(23-3)9-13(14)17/h4-9H,10H2,1-3H3,(H2,18,20,22).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea has a molecular weight of 334.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 75435298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).