1,3-dipyridin-4-ylurea

C11H10N4O — CID 1082704

IUPAC1,3-dipyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccncc1
InChIInChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16)
InChIKeyQRRGJASIECDXQW-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.12
Rot. Bonds2

About 1,3-dipyridin-4-ylurea

1,3-dipyridin-4-ylurea (PubChem CID 1082704) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1,3-dipyridin-4-ylurea.

Molecular Properties

Compound Name1,3-dipyridin-4-ylurea
PubChem CID1082704
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1,3-dipyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccncc1
InChIInChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16)
InChIKeyQRRGJASIECDXQW-UHFFFAOYSA-N
XLogP2.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-4-ylurea?
The IUPAC name of 1,3-dipyridin-4-ylurea (CID 1082704) is 1,3-dipyridin-4-ylurea.
What is the SMILES notation for 1,3-dipyridin-4-ylurea?
The canonical SMILES for 1,3-dipyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccncc1.
What is the InChIKey of 1,3-dipyridin-4-ylurea?
The InChIKey is QRRGJASIECDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16).
What are the key properties of 1,3-dipyridin-4-ylurea?
1,3-dipyridin-4-ylurea has a molecular weight of 214.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-4-ylurea is sourced from PubChem (CID 1082704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).