1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea

C16H19N3O2 — CID 108883164

IUPAC1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
SMILESCc1cccc(NC(=O)NCCCOc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-13-7-5-10-15(18-13)19-16(20)17-11-6-12-21-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H2,17,18,19,20)
InChIKeyNGOOEGLKTDPYHL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.98
Rot. Bonds6

About 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea

1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea (PubChem CID 108883164) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
PubChem CID108883164
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
SMILESCc1cccc(NC(=O)NCCCOc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-13-7-5-10-15(18-13)19-16(20)17-11-6-12-21-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H2,17,18,19,20)
InChIKeyNGOOEGLKTDPYHL-UHFFFAOYSA-N
XLogP2.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525224
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea (CID 108883164) is 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea is Cc1cccc(NC(=O)NCCCOc2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The InChIKey is NGOOEGLKTDPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-7-5-10-15(18-13)19-16(20)17-11-6-12-21-14-8-3-2-4-9-14/h2-5,7-10H,6,11-12H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea?
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea is sourced from PubChem (CID 108883164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).