1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

C16H19N3O3 — CID 53184866

IUPAC1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C16H19N3O3/c1-21-14-7-5-12(6-8-14)10-18-16(20)19-11-13-4-3-9-17-15(13)22-2/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMLCBDMLIQQCUBK-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.10
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea

1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (PubChem CID 53184866) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
PubChem CID53184866
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C16H19N3O3/c1-21-14-7-5-12(6-8-14)10-18-16(20)19-11-13-4-3-9-17-15(13)22-2/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyMLCBDMLIQQCUBK-UHFFFAOYSA-N
XLogP2.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46583960
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 46598865
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
1-[2-(4-methoxyphenyl)ethyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111169185
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea (CID 53184866) is 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)NCc2cccnc2OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is MLCBDMLIQQCUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-7-5-12(6-8-14)10-18-16(20)19-11-13-4-3-9-17-15(13)22-2/h3-9H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 53184866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).