1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea

C24H27ClN4O — CID 118716100

IUPAC1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
SMILESCCCN(CCC)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C24H27ClN4O/c1-3-15-29(16-4-2)23-10-6-9-22(28-23)18-7-5-8-21(17-18)27-24(30)26-20-13-11-19(25)12-14-20/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,27,30)
InChIKeyMVWUOFXAHWXDOG-UHFFFAOYSA-N
MW422.96 g/mol
LogP6.67
Rot. Bonds8

About 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea (PubChem CID 118716100) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
PubChem CID118716100
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
SMILESCCCN(CCC)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C24H27ClN4O/c1-3-15-29(16-4-2)23-10-6-9-22(28-23)18-7-5-8-21(17-18)27-24(30)26-20-13-11-19(25)12-14-20/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,27,30)
InChIKeyMVWUOFXAHWXDOG-UHFFFAOYSA-N
XLogP6.67
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea (CID 118716100) is 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea is CCCN(CCC)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea?
The InChIKey is MVWUOFXAHWXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-3-15-29(16-4-2)23-10-6-9-22(28-23)18-7-5-8-21(17-18)27-24(30)26-20-13-11-19(25)12-14-20/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea has a molecular weight of 422.96 g/mol, XLogP of 6.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea is sourced from PubChem (CID 118716100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).