1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea

C16H14N4O — CID 6611623

IUPAC1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
SMILESO=C(NNc1ccccn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H14N4O/c21-16(20-19-15-7-3-4-10-17-15)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H,17,19)(H2,18,20,21)
InChIKeyPGRDXFPDHGYEKI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.38
Rot. Bonds3

About 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea

1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea (PubChem CID 6611623) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
PubChem CID6611623
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
SMILESO=C(NNc1ccccn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H14N4O/c21-16(20-19-15-7-3-4-10-17-15)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H,17,19)(H2,18,20,21)
InChIKeyPGRDXFPDHGYEKI-UHFFFAOYSA-N
XLogP3.38
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064948
1-(dimethylamino)-3-(pyridin-2-ylamino)urea
CID 23526167
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
2-hydrazinyl-N-naphthalen-2-ylpyridine-4-carboxamide
CID 62248189
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-(2-chloroethyl)-3-(pyridin-2-ylamino)urea
CID 10680176
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea?
The IUPAC name of 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea (CID 6611623) is 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea?
The canonical SMILES for 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea is O=C(NNc1ccccn1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea?
The InChIKey is PGRDXFPDHGYEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(20-19-15-7-3-4-10-17-15)18-14-9-8-12-5-1-2-6-13(12)11-14/h1-11H,(H,17,19)(H2,18,20,21).
What are the key properties of 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea?
1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea has a molecular weight of 278.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea is sourced from PubChem (CID 6611623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).