1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea

C23H25N5O — CID 126768475

IUPAC1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea
SMILESCc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3ccncc3)CC2)nc1
InChIInChI=1S/C23H25N5O/c1-17-6-7-22(25-16-17)28-14-10-19(11-15-28)26-23(29)27-21-5-3-2-4-20(21)18-8-12-24-13-9-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H2,26,27,29)
InChIKeyYDQQOPHLJPQNLN-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.24
Rot. Bonds4

About 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea

1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea (PubChem CID 126768475) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea
PubChem CID126768475
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea
SMILESCc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3ccncc3)CC2)nc1
InChIInChI=1S/C23H25N5O/c1-17-6-7-22(25-16-17)28-14-10-19(11-15-28)26-23(29)27-21-5-3-2-4-20(21)18-8-12-24-13-9-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H2,26,27,29)
InChIKeyYDQQOPHLJPQNLN-UHFFFAOYSA-N
XLogP4.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea (CID 126768475) is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea is Cc1ccc(N2CCC(NC(=O)Nc3ccccc3-c3ccncc3)CC2)nc1.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea?
The InChIKey is YDQQOPHLJPQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-6-7-22(25-16-17)28-14-10-19(11-15-28)26-23(29)27-21-5-3-2-4-20(21)18-8-12-24-13-9-18/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H2,26,27,29).
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea?
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea has a molecular weight of 387.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(2-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 126768475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).