1-butyl-3-(3-methyl-4-pyridinyl)urea

C11H17N3O — CID 103881201

IUPAC1-butyl-3-(3-methyl-4-pyridinyl)urea
SMILESCCCCNC(=O)Nc1ccncc1C
InChIInChI=1S/C11H17N3O/c1-3-4-6-13-11(15)14-10-5-7-12-8-9(10)2/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDWTFEAFZNARIOI-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds4

About 1-butyl-3-(3-methyl-4-pyridinyl)urea

1-butyl-3-(3-methyl-4-pyridinyl)urea (PubChem CID 103881201) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-butyl-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-methyl-4-pyridinyl)urea
PubChem CID103881201
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-butyl-3-(3-methyl-4-pyridinyl)urea
SMILESCCCCNC(=O)Nc1ccncc1C
InChIInChI=1S/C11H17N3O/c1-3-4-6-13-11(15)14-10-5-7-12-8-9(10)2/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDWTFEAFZNARIOI-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75438221
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
CID 75438227
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
CID 95615900
1-(4-amino-2-methylphenyl)-3-butylurea
CID 28785624
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
bis(1-butyl-3-isoquinolin-8-ylurea);platinum(2+);bis(pyridine);dibromide
CID 139180676
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-butyl-3-(3-methyl-4-pyridinyl)urea (CID 103881201) is 1-butyl-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-butyl-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-butyl-3-(3-methyl-4-pyridinyl)urea is CCCCNC(=O)Nc1ccncc1C.
What is the InChIKey of 1-butyl-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is DWTFEAFZNARIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-6-13-11(15)14-10-5-7-12-8-9(10)2/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-butyl-3-(3-methyl-4-pyridinyl)urea?
1-butyl-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 207.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 103881201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).