1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea

C23H19N3O — CID 17012534

IUPAC1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea
SMILESO=C(Nc1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C23H19N3O/c27-23(25-20-12-2-1-3-13-20)26(22-15-6-7-16-24-22)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-16H,17H2,(H,25,27)
InChIKeyLWWMPZXYUOEENZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.47
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea

1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea (PubChem CID 17012534) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea
PubChem CID17012534
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea
SMILESO=C(Nc1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1
InChIInChI=1S/C23H19N3O/c27-23(25-20-12-2-1-3-13-20)26(22-15-6-7-16-24-22)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-16H,17H2,(H,25,27)
InChIKeyLWWMPZXYUOEENZ-UHFFFAOYSA-N
XLogP5.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea (CID 17012534) is 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea is O=C(Nc1ccccc1)N(Cc1cccc2ccccc12)c1ccccn1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea?
The InChIKey is LWWMPZXYUOEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23(25-20-12-2-1-3-13-20)26(22-15-6-7-16-24-22)17-19-11-8-10-18-9-4-5-14-21(18)19/h1-16H,17H2,(H,25,27).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea?
1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea has a molecular weight of 353.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea is sourced from PubChem (CID 17012534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).