1-naphthalen-2-yl-3-pyridin-3-ylurea

C16H13N3O — CID 1286770

IUPAC1-naphthalen-2-yl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H13N3O/c20-16(19-15-6-3-9-17-11-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H2,18,19,20)
InChIKeyWSHWNJVHKYVMMM-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.88
Rot. Bonds2

About 1-naphthalen-2-yl-3-pyridin-3-ylurea

1-naphthalen-2-yl-3-pyridin-3-ylurea (PubChem CID 1286770) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-pyridin-3-ylurea
PubChem CID1286770
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-naphthalen-2-yl-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H13N3O/c20-16(19-15-6-3-9-17-11-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H2,18,19,20)
InChIKeyWSHWNJVHKYVMMM-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-2-yl-3-pyridin-3-ylurea with MolForge

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

Launch Full Analysis

Related Compounds

Sgc707
CID 90642938
2-Pyridin-3-yl-2,3-dihydro-1H-perimidine
CID 256661
A-425619
CID 8068410
1-Methyl-3-quinolin-8-ylurea
CID 250561
N-[1-(4-tert-butylphenyl)ethyl]-N'-5-isoquinolinylurea
CID 9975006
N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 9977590
Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-
CID 9998549
Urea, N-5-isoquinolinyl-N'-[2-[4-(trifluoromethyl)phenyl]ethyl]-
CID 9998550
N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
CID 10022547
1-Isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]methyl}urea
CID 10247042
3-{[4-(Azepan-1-yl)-3-fluorophenyl]methyl}-1-isoquinolin-5-ylurea
CID 10385845
3-{[4-(Dimethylamino)phenyl]methyl}-1-isoquinolin-5-ylurea
CID 10426159

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-pyridin-3-ylurea?
The IUPAC name of 1-naphthalen-2-yl-3-pyridin-3-ylurea (CID 1286770) is 1-naphthalen-2-yl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-naphthalen-2-yl-3-pyridin-3-ylurea?
The canonical SMILES for 1-naphthalen-2-yl-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-pyridin-3-ylurea?
The InChIKey is WSHWNJVHKYVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(19-15-6-3-9-17-11-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-11H,(H2,18,19,20).
What are the key properties of 1-naphthalen-2-yl-3-pyridin-3-ylurea?
1-naphthalen-2-yl-3-pyridin-3-ylurea has a molecular weight of 263.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-pyridin-3-ylurea is sourced from PubChem (CID 1286770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).