1-butyl-3-(2-methyl-3-pyridinyl)urea

C11H17N3O — CID 115667861

IUPAC1-butyl-3-(2-methyl-3-pyridinyl)urea
SMILESCCCCNC(=O)Nc1cccnc1C
InChIInChI=1S/C11H17N3O/c1-3-4-7-13-11(15)14-10-6-5-8-12-9(10)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeyUGQFIFMTXVZIHD-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds4

About 1-butyl-3-(2-methyl-3-pyridinyl)urea

1-butyl-3-(2-methyl-3-pyridinyl)urea (PubChem CID 115667861) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-butyl-3-(2-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-methyl-3-pyridinyl)urea
PubChem CID115667861
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-butyl-3-(2-methyl-3-pyridinyl)urea
SMILESCCCCNC(=O)Nc1cccnc1C
InChIInChI=1S/C11H17N3O/c1-3-4-7-13-11(15)14-10-6-5-8-12-9(10)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,15)
InChIKeyUGQFIFMTXVZIHD-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

2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-butyl-3-(3-nitro-2-pyridinyl)urea
CID 134104979
1-butyl-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 71914641
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methyl-3-pyridinyl)urea?
The IUPAC name of 1-butyl-3-(2-methyl-3-pyridinyl)urea (CID 115667861) is 1-butyl-3-(2-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-butyl-3-(2-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-butyl-3-(2-methyl-3-pyridinyl)urea is CCCCNC(=O)Nc1cccnc1C.
What is the InChIKey of 1-butyl-3-(2-methyl-3-pyridinyl)urea?
The InChIKey is UGQFIFMTXVZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-7-13-11(15)14-10-6-5-8-12-9(10)2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-(2-methyl-3-pyridinyl)urea?
1-butyl-3-(2-methyl-3-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-(2-methyl-3-pyridinyl)urea is sourced from PubChem (CID 115667861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).