1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea

C19H13N3O2 — CID 5330596

IUPAC1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24)
InChIKeyXVVDNGPUSVDRAJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.94
Rot. Bonds2

About 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea

1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea (PubChem CID 5330596) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea
PubChem CID5330596
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24)
InChIKeyXVVDNGPUSVDRAJ-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea (CID 5330596) is 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea?
The InChIKey is XVVDNGPUSVDRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18-13-7-2-1-6-12(13)17-14(18)8-5-9-15(17)21-19(24)22-16-10-3-4-11-20-16/h1-11H,(H2,20,21,22,24).
What are the key properties of 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea?
1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea has a molecular weight of 315.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-oxofluoren-4-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 5330596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).