1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea

C19H16N4O4 — CID 67451632

IUPAC1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1)NC1CC1
InChIInChI=1S/C19H16N4O4/c24-19(21-12-5-6-12)22-18-11-13(9-10-20-18)27-17-8-7-16(23(25)26)14-3-1-2-4-15(14)17/h1-4,7-12H,5-6H2,(H2,20,21,22,24)
InChIKeyQVPUZJJGGPFAAA-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.22
Rot. Bonds5

About 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea

1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea (PubChem CID 67451632) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
PubChem CID67451632
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
SMILESO=C(Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1)NC1CC1
InChIInChI=1S/C19H16N4O4/c24-19(21-12-5-6-12)22-18-11-13(9-10-20-18)27-17-8-7-16(23(25)26)14-3-1-2-4-15(14)17/h1-4,7-12H,5-6H2,(H2,20,21,22,24)
InChIKeyQVPUZJJGGPFAAA-UHFFFAOYSA-N
XLogP4.22
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
CID 70881346
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamate
CID 67451903
1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
CID 164899632
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
CID 157261664
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]-N-prop-1-en-2-yloxycarbonylcarbamate
CID 67451623
[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
CID 91273093
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(piperidin-4-ylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235246
[2-[[4-(2,3-dichloro-4-nitrophenoxy)-2-pyridinyl]amino]-2-oxoethyl]-methylcarbamic acid
CID 121317007
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235388
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea (CID 67451632) is 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea is O=C(Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea?
The InChIKey is QVPUZJJGGPFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-19(21-12-5-6-12)22-18-11-13(9-10-20-18)27-17-8-7-16(23(25)26)14-3-1-2-4-15(14)17/h1-4,7-12H,5-6H2,(H2,20,21,22,24).
What are the key properties of 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea?
1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea has a molecular weight of 364.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea is sourced from PubChem (CID 67451632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).