1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea

C17H14N4O2 — CID 1225748

IUPAC1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N4O2/c22-16(13-7-4-10-18-11-13)20-21-17(23)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,20,22)(H2,19,21,23)
InChIKeyKNOCTBUPCSJJKJ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.70
Rot. Bonds2

About 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea

1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea (PubChem CID 1225748) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
PubChem CID1225748
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
SMILESO=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H14N4O2/c22-16(13-7-4-10-18-11-13)20-21-17(23)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,20,22)(H2,19,21,23)
InChIKeyKNOCTBUPCSJJKJ-UHFFFAOYSA-N
XLogP2.70
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.70
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

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N'-(2-hydroxynaphthalene-1-carbonyl)pyridine-3-carbohydrazide
CID 153395646
1-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-3-naphthalen-1-ylurea
CID 841598
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
N'-decanoylpyridine-3-carbohydrazide
CID 132992060

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea (CID 1225748) is 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea is O=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea?
The InChIKey is KNOCTBUPCSJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16(13-7-4-10-18-11-13)20-21-17(23)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,20,22)(H2,19,21,23).
What are the key properties of 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea?
1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea has a molecular weight of 306.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea is sourced from PubChem (CID 1225748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).