1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea

C12H19N3O — CID 143056768

IUPAC1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
SMILESCCc1ccnc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLJJFYMWZBVADCW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.56
Rot. Bonds2

About 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea

1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea (PubChem CID 143056768) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
PubChem CID143056768
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea
SMILESCCc1ccnc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLJJFYMWZBVADCW-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
5-[(4-ethyl-2-pyridinyl)amino]-5-oxopentanoic acid
CID 2812026
N-(4-ethyl-2-pyridinyl)-5-hydroxy-2-methylpyridine-4-carboxamide
CID 155917131
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738329
N-(4-ethyl-2-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59781573
1-[4-(hydroxymethyl)-2-pyridinyl]-3-phenylurea
CID 82343536
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
1-tert-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887248
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
1-(4-ethyl-2-pyridinyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
CID 24988686
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea (CID 143056768) is 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea is CCc1ccnc(NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
The InChIKey is LJJFYMWZBVADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-9-6-7-13-10(8-9)14-11(16)15-12(2,3)4/h6-8H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea?
1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea has a molecular weight of 221.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-ethyl-2-pyridinyl)urea is sourced from PubChem (CID 143056768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).