1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea

C16H19N3O — CID 110634646

IUPAC1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)16(20)18-15-11-10-14(12-17-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyBKTGIOLMWMHWBU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.62
Rot. Bonds4

About 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea

1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea (PubChem CID 110634646) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
PubChem CID110634646
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
SMILESCCN(CC)C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C16H19N3O/c1-3-19(4-2)16(20)18-15-11-10-14(12-17-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyBKTGIOLMWMHWBU-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 138700717
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide
CID 143651838
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
N-(5-phenyl-2-pyridinyl)-3-thiophen-2-ylpropanamide
CID 110634655
2-(2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888893
N-(5-phenyl-2-pyridinyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55952825
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea?
The IUPAC name of 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea (CID 110634646) is 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea?
The canonical SMILES for 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea is CCN(CC)C(=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea?
The InChIKey is BKTGIOLMWMHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(4-2)16(20)18-15-11-10-14(12-17-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea?
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea is sourced from PubChem (CID 110634646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).