1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea

C18H23N5O — CID 154859659

IUPAC1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)Nc1ccccn1
InChIInChI=1S/C18H23N5O/c24-18(22-17-3-1-2-9-20-17)21-12-4-15-7-13-23(14-8-15)16-5-10-19-11-6-16/h1-3,5-6,9-11,15H,4,7-8,12-14H2,(H2,20,21,22,24)
InChIKeyCBIJQCFAJKPJCU-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.90
Rot. Bonds5

About 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea

1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea (PubChem CID 154859659) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
PubChem CID154859659
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea
SMILESO=C(NCCC1CCN(c2ccncc2)CC1)Nc1ccccn1
InChIInChI=1S/C18H23N5O/c24-18(22-17-3-1-2-9-20-17)21-12-4-15-7-13-23(14-8-15)16-5-10-19-11-6-16/h1-3,5-6,9-11,15H,4,7-8,12-14H2,(H2,20,21,22,24)
InChIKeyCBIJQCFAJKPJCU-UHFFFAOYSA-N
XLogP2.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea (CID 154859659) is 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea is O=C(NCCC1CCN(c2ccncc2)CC1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea?
The InChIKey is CBIJQCFAJKPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(22-17-3-1-2-9-20-17)21-12-4-15-7-13-23(14-8-15)16-5-10-19-11-6-16/h1-3,5-6,9-11,15H,4,7-8,12-14H2,(H2,20,21,22,24).
What are the key properties of 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea?
1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea has a molecular weight of 325.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 154859659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).