1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea

C17H22N4O2 — CID 144784541

IUPAC1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
SMILESCc1cccnc1OCc1c(NC(=O)NN)cccc1C(C)C
InChIInChI=1S/C17H22N4O2/c1-11(2)13-7-4-8-15(20-17(22)21-18)14(13)10-23-16-12(3)6-5-9-19-16/h4-9,11H,10,18H2,1-3H3,(H2,20,21,22)
InChIKeySGQMNIRMUKJCKY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.09
Rot. Bonds5

About 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea

1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea (PubChem CID 144784541) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
PubChem CID144784541
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
SMILESCc1cccnc1OCc1c(NC(=O)NN)cccc1C(C)C
InChIInChI=1S/C17H22N4O2/c1-11(2)13-7-4-8-15(20-17(22)21-18)14(13)10-23-16-12(3)6-5-9-19-16/h4-9,11H,10,18H2,1-3H3,(H2,20,21,22)
InChIKeySGQMNIRMUKJCKY-UHFFFAOYSA-N
XLogP3.09
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783936
2-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-amino-3-[2-[(4-methylpyrimidin-5-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]urea
CID 144784267
1-methoxy-3-(3-propan-2-yl-2-pyridinyl)urea
CID 134178395
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea?
The IUPAC name of 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea (CID 144784541) is 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea.
What is the SMILES notation for 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea?
The canonical SMILES for 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea is Cc1cccnc1OCc1c(NC(=O)NN)cccc1C(C)C.
What is the InChIKey of 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea?
The InChIKey is SGQMNIRMUKJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)13-7-4-8-15(20-17(22)21-18)14(13)10-23-16-12(3)6-5-9-19-16/h4-9,11H,10,18H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea?
1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea is sourced from PubChem (CID 144784541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).