1-(2-tert-butylphenyl)-3-pyridin-2-ylurea

C16H19N3O — CID 110491801

IUPAC1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1ccccn1
InChIInChI=1S/C16H19N3O/c1-16(2,3)12-8-4-5-9-13(12)18-15(20)19-14-10-6-7-11-17-14/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyCYYGUVUFDWOPRQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.02
Rot. Bonds2

About 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea

1-(2-tert-butylphenyl)-3-pyridin-2-ylurea (PubChem CID 110491801) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
PubChem CID110491801
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1ccccn1
InChIInChI=1S/C16H19N3O/c1-16(2,3)12-8-4-5-9-13(12)18-15(20)19-14-10-6-7-11-17-14/h4-11H,1-3H3,(H2,17,18,19,20)
InChIKeyCYYGUVUFDWOPRQ-UHFFFAOYSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-hydroxy-3-pyridin-2-ylurea
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3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea (CID 110491801) is 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea is CC(C)(C)c1ccccc1NC(=O)Nc1ccccn1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea?
The InChIKey is CYYGUVUFDWOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)12-8-4-5-9-13(12)18-15(20)19-14-10-6-7-11-17-14/h4-11H,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea?
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea has a molecular weight of 269.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110491801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).