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

C15H17N3O2 — CID 47235934

IUPAC1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-9-16-14(11)18-15(19)17-10-12-5-7-13(20-2)8-6-12/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRCQRQSUJXWASEG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 47235934) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID47235934
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
SMILESCOc1ccc(CNC(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-9-16-14(11)18-15(19)17-10-12-5-7-13(20-2)8-6-12/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRCQRQSUJXWASEG-UHFFFAOYSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 108897270
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea (CID 47235934) is 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea is COc1ccc(CNC(=O)Nc2ncccc2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is RCQRQSUJXWASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-3-9-16-14(11)18-15(19)17-10-12-5-7-13(20-2)8-6-12/h3-9H,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea?
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 47235934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).