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

C14H14N4O4 — CID 24818607

IUPAC1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C14H14N4O4/c1-22-13-8-11(18(20)21)5-6-12(13)17-14(19)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H2,16,17,19)
InChIKeyYJEFHCVJEYYJIY-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 24818607) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID24818607
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C14H14N4O4/c1-22-13-8-11(18(20)21)5-6-12(13)17-14(19)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H2,16,17,19)
InChIKeyYJEFHCVJEYYJIY-UHFFFAOYSA-N
XLogP2.32
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.32
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

(2-Methoxy-4-nitrophenyl)-3-pyrazin-2-yl-urea
CID 22046313
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960
1-(2-Methoxy-4-nitrophenyl)-3-pyridin-3-ylurea
CID 2957723
1-(6-Methoxypyridin-3-yl)-3-(4-nitrophenyl)urea
CID 4547792
1-(2,5-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5086943
1-(2,5-Dimethoxyphenyl)-3-pyridin-3-ylurea
CID 16354657
N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 2842434
N-(2-methoxy-4-nitrophenyl)-N'-(2-pyridinylmethyl)thiourea
CID 2957707
1-[(2-Methoxy-4-nitro-phenylcarbamoyl)-methyl]-pyridinium
CID 12004711
N-(2-Methoxy-4-nitrophenyl)-5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxaline]-1-carboxamide
CID 16030503
4-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 127039724

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea (CID 24818607) is 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is YJEFHCVJEYYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-22-13-8-11(18(20)21)5-6-12(13)17-14(19)16-9-10-4-2-3-7-15-10/h2-8H,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 302.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 24818607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).