1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea

C15H16ClN3O — CID 12060189

IUPAC1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-10(2)12-5-3-4-6-13(12)18-15(20)19-14-8-7-11(16)9-17-14/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyAWXZKAWZBROCCJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.50
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea

1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 12060189) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID12060189
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-10(2)12-5-3-4-6-13(12)18-15(20)19-14-8-7-11(16)9-17-14/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyAWXZKAWZBROCCJ-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
N-[2-[1-[(5-chloro-2-pyridinyl)amino]ethenyl]phenyl]-2-methylbut-3-enamide
CID 143233978
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924479
N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
CID 95161224
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea (CID 12060189) is 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is AWXZKAWZBROCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)12-5-3-4-6-13(12)18-15(20)19-14-8-7-11(16)9-17-14/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 289.77 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 12060189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).