1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H18N4O3 — CID 3231725

IUPAC1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1
InChIInChI=1S/C21H18N4O3/c1-28-18-9-7-15(8-10-18)14-25-11-3-6-19(20(25)26)24-21(27)23-17-5-2-4-16(12-17)13-22/h2-12H,14H2,1H3,(H2,23,24,27)
InChIKeyNKHQHOXBCHVSBD-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea

1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 3231725) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID3231725
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1
InChIInChI=1S/C21H18N4O3/c1-28-18-9-7-15(8-10-18)14-25-11-3-6-19(20(25)26)24-21(27)23-17-5-2-4-16(12-17)13-22/h2-12H,14H2,1H3,(H2,23,24,27)
InChIKeyNKHQHOXBCHVSBD-UHFFFAOYSA-N
XLogP3.42
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 3231725) is 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is COc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is NKHQHOXBCHVSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-28-18-9-7-15(8-10-18)14-25-11-3-6-19(20(25)26)24-21(27)23-17-5-2-4-16(12-17)13-22/h2-12H,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 374.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 3231725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).