1-(benzhydrylideneamino)-3-pyridin-4-ylurea

C19H16N4O — CID 71769057

IUPAC1-(benzhydrylideneamino)-3-pyridin-4-ylurea
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
InChIInChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
InChIKeyGYGIBXHJGSWTKF-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.66
Rot. Bonds4

About 1-(benzhydrylideneamino)-3-pyridin-4-ylurea

1-(benzhydrylideneamino)-3-pyridin-4-ylurea (PubChem CID 71769057) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(benzhydrylideneamino)-3-pyridin-4-ylurea
PubChem CID71769057
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(benzhydrylideneamino)-3-pyridin-4-ylurea
SMILESO=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1
InChIInChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24)
InChIKeyGYGIBXHJGSWTKF-UHFFFAOYSA-N
XLogP3.66
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)-3-pyridin-4-ylurea?
The IUPAC name of 1-(benzhydrylideneamino)-3-pyridin-4-ylurea (CID 71769057) is 1-(benzhydrylideneamino)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(benzhydrylideneamino)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(benzhydrylideneamino)-3-pyridin-4-ylurea is O=C(NN=C(c1ccccc1)c1ccccc1)Nc1ccncc1.
What is the InChIKey of 1-(benzhydrylideneamino)-3-pyridin-4-ylurea?
The InChIKey is GYGIBXHJGSWTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(21-17-11-13-20-14-12-17)23-22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,20,21,23,24).
What are the key properties of 1-(benzhydrylideneamino)-3-pyridin-4-ylurea?
1-(benzhydrylideneamino)-3-pyridin-4-ylurea has a molecular weight of 316.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)-3-pyridin-4-ylurea is sourced from PubChem (CID 71769057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).