1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea

C14H15ClN4O2 — CID 144783811

IUPAC1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
SMILESCc1cccc(NC(=O)NN)c1COc1cccc(Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-9-4-2-5-11(17-14(20)19-16)10(9)8-21-13-7-3-6-12(15)18-13/h2-7H,8,16H2,1H3,(H2,17,19,20)
InChIKeyINQWZAMBFLGQEA-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.62
Rot. Bonds4

About 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea

1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea (PubChem CID 144783811) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
PubChem CID144783811
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
SMILESCc1cccc(NC(=O)NN)c1COc1cccc(Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-9-4-2-5-11(17-14(20)19-16)10(9)8-21-13-7-3-6-12(15)18-13/h2-7H,8,16H2,1H3,(H2,17,19,20)
InChIKeyINQWZAMBFLGQEA-UHFFFAOYSA-N
XLogP2.62
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
CID 144785007
1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea
CID 144784203
1-amino-3-[2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]urea
CID 144773041
1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
CID 144784541
1,3-diamino-1-[2-[(6-chloropyrazin-2-yl)oxymethyl]-3-methylphenyl]urea
CID 146632197
1-amino-3-[2-[1-(4-bromophenyl)ethoxymethyl]-3-methylphenyl]urea
CID 144838970
[[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]carbamoylhydrazinylidene]azanium
CID 147594852
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105
1-[2-[(6-ethyl-2-pyridinyl)oxymethyl]phenyl]-3-hydrazinylurea
CID 144784630
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The IUPAC name of 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea (CID 144783811) is 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea.
What is the SMILES notation for 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The canonical SMILES for 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea is Cc1cccc(NC(=O)NN)c1COc1cccc(Cl)n1.
What is the InChIKey of 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The InChIKey is INQWZAMBFLGQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9-4-2-5-11(17-14(20)19-16)10(9)8-21-13-7-3-6-12(15)18-13/h2-7H,8,16H2,1H3,(H2,17,19,20).
What are the key properties of 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea has a molecular weight of 306.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea is sourced from PubChem (CID 144783811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).