1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea

C18H16N6O2 — CID 45489134

IUPAC1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccncc1)Nc1cccc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H16N6O2/c25-17(21-13-4-8-19-9-5-13)23-15-2-1-3-16(12-15)24-18(26)22-14-6-10-20-11-7-14/h1-12H,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyHILDIPJEKAOBQV-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.76
Rot. Bonds4

About 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea

1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea (PubChem CID 45489134) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea
PubChem CID45489134
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1ccncc1)Nc1cccc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H16N6O2/c25-17(21-13-4-8-19-9-5-13)23-15-2-1-3-16(12-15)24-18(26)22-14-6-10-20-11-7-14/h1-12H,(H2,19,21,23,25)(H2,20,22,24,26)
InChIKeyHILDIPJEKAOBQV-UHFFFAOYSA-N
XLogP3.76
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea (CID 45489134) is 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea is O=C(Nc1ccncc1)Nc1cccc(NC(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea?
The InChIKey is HILDIPJEKAOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-17(21-13-4-8-19-9-5-13)23-15-2-1-3-16(12-15)24-18(26)22-14-6-10-20-11-7-14/h1-12H,(H2,19,21,23,25)(H2,20,22,24,26).
What are the key properties of 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea?
1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea has a molecular weight of 348.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-[3-(pyridin-4-ylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 45489134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).