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

C12H19N3O2 — CID 75484741

IUPAC1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCCN(C)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C12H19N3O2/c1-10-6-4-7-11(13-10)14-12(16)15(2)8-5-9-17-3/h4,6-7H,5,8-9H2,1-3H3,(H,13,14,16)
InChIKeyXIVPAJVUGQILJG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.89
Rot. Bonds5

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

1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75484741) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
PubChem CID75484741
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
SMILESCOCCCN(C)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C12H19N3O2/c1-10-6-4-7-11(13-10)14-12(16)15(2)8-5-9-17-3/h4,6-7H,5,8-9H2,1-3H3,(H,13,14,16)
InChIKeyXIVPAJVUGQILJG-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-2,6-Pyridinediylbisacetamide
CID 95139
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
ethyl N-[(6-methylpyridin-2-yl)carbamothioyl]carbamate
CID 676779
2-Acetamido-6-methylpyridine
CID 220486
2-Acetoacetamido-6-methylpyridine
CID 268310
N-(6-methyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)urea
CID 934768
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
1,1'-Pyridine-2,6-diylbis(3-methylurea)
CID 661800
N,N'-Bis(6-methyl-2-pyridinyl)urea
CID 650730
N,6-dimethylpyridin-2-amine
CID 3839092
1-(6-Methylpyridin-2-yl)-3-propyl-urea
CID 6469265

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea (CID 75484741) is 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is COCCCN(C)C(=O)Nc1cccc(C)n1.
What is the InChIKey of 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is XIVPAJVUGQILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-6-4-7-11(13-10)14-12(16)15(2)8-5-9-17-3/h4,6-7H,5,8-9H2,1-3H3,(H,13,14,16).
What are the key properties of 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea?
1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75484741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).