1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea

C15H17N3O2 — CID 119049795

IUPAC1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOCc1ccc(NC(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-9-16-8-7-14(11)18-15(19)17-13-5-3-12(4-6-13)10-20-2/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyDLVFOZSHCFGWGA-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.18
Rot. Bonds4

About 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea

1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 119049795) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID119049795
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOCc1ccc(NC(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-11-9-16-8-7-14(11)18-15(19)17-13-5-3-12(4-6-13)10-20-2/h3-9H,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyDLVFOZSHCFGWGA-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
CID 75438227
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
1-[4-(methoxymethyl)phenyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 119049787
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
2-chloro-N-[[4-(methoxymethyl)phenyl]carbamoyl]propanamide
CID 114253205
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
methyl 4-[(3-methyl-4-pyridinyl)amino]benzoate
CID 157043552
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea (CID 119049795) is 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea is COCc1ccc(NC(=O)Nc2ccncc2C)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is DLVFOZSHCFGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-9-16-8-7-14(11)18-15(19)17-13-5-3-12(4-6-13)10-20-2/h3-9H,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea?
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 119049795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).