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

C15H17N3O2 — CID 47258131

IUPAC1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-13(17-11)10-16-15(19)18-12-6-8-14(20-2)9-7-12/h3-9H,10H2,1-2H3,(H2,16,18,19)
InChIKeyYEIANAASQACXNG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 47258131) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID47258131
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2cccc(C)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-3-5-13(17-11)10-16-15(19)18-12-6-8-14(20-2)9-7-12/h3-9H,10H2,1-2H3,(H2,16,18,19)
InChIKeyYEIANAASQACXNG-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

ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
4-(4-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 87041312
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 47258131) is 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea is COc1ccc(NC(=O)NCc2cccc(C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is YEIANAASQACXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-3-5-13(17-11)10-16-15(19)18-12-6-8-14(20-2)9-7-12/h3-9H,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]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)-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 47258131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).