1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea

C20H19FN4O2 — CID 59074974

IUPAC1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea
SMILESCCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(C#N)cn2)c1C
InChIInChI=1S/C20H19FN4O2/c1-3-17(26)13-5-6-15(21)19(11(13)2)14-8-16(14)24-20(27)25-18-7-4-12(9-22)10-23-18/h4-7,10,14,16H,3,8H2,1-2H3,(H2,23,24,25,27)
InChIKeyRTHUFOQKSNBZPN-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.67
Rot. Bonds5

About 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea

1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea (PubChem CID 59074974) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea
PubChem CID59074974
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea
SMILESCCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(C#N)cn2)c1C
InChIInChI=1S/C20H19FN4O2/c1-3-17(26)13-5-6-15(21)19(11(13)2)14-8-16(14)24-20(27)25-18-7-4-12(9-22)10-23-18/h4-7,10,14,16H,3,8H2,1-2H3,(H2,23,24,25,27)
InChIKeyRTHUFOQKSNBZPN-UHFFFAOYSA-N
XLogP3.67
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea (CID 59074974) is 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea is CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(C#N)cn2)c1C.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea?
The InChIKey is RTHUFOQKSNBZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-3-17(26)13-5-6-15(21)19(11(13)2)14-8-16(14)24-20(27)25-18-7-4-12(9-22)10-23-18/h4-7,10,14,16H,3,8H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea?
1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea has a molecular weight of 366.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-3-[2-(6-fluoro-2-methyl-3-propanoylphenyl)cyclopropyl]urea is sourced from PubChem (CID 59074974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).