1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea

C19H16N4O5 — CID 44565744

IUPAC1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H16N4O5/c1-27-18-12-14(23(25)26)4-7-17(18)22-19(24)21-13-2-5-15(6-3-13)28-16-8-10-20-11-9-16/h2-12H,1H3,(H2,21,22,24)
InChIKeyBDFVFXDSPFBGPE-UHFFFAOYSA-N
MW380.36 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea

1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 44565744) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID44565744
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C19H16N4O5/c1-27-18-12-14(23(25)26)4-7-17(18)22-19(24)21-13-2-5-15(6-3-13)28-16-8-10-20-11-9-16/h2-12H,1H3,(H2,21,22,24)
InChIKeyBDFVFXDSPFBGPE-UHFFFAOYSA-N
XLogP4.43
TPSA115.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea (CID 44565744) is 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is BDFVFXDSPFBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-27-18-12-14(23(25)26)4-7-17(18)22-19(24)21-13-2-5-15(6-3-13)28-16-8-10-20-11-9-16/h2-12H,1H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 380.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 44565744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).