[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate

C21H19N3O4 — CID 166429594

IUPAC[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cnccc2NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c1-2-27-17-10-8-15(9-11-17)20(25)28-19-14-22-13-12-18(19)24-21(26)23-16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H2,22,23,24,26)
InChIKeyDYXWUXJXSRAEPD-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.34
Rot. Bonds6

About [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate

[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate (PubChem CID 166429594) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate
PubChem CID166429594
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cnccc2NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c1-2-27-17-10-8-15(9-11-17)20(25)28-19-14-22-13-12-18(19)24-21(26)23-16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H2,22,23,24,26)
InChIKeyDYXWUXJXSRAEPD-UHFFFAOYSA-N
XLogP4.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate?
The IUPAC name of [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate (CID 166429594) is [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate?
The canonical SMILES for [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2cnccc2NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate?
The InChIKey is DYXWUXJXSRAEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-27-17-10-8-15(9-11-17)20(25)28-19-14-22-13-12-18(19)24-21(26)23-16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H2,22,23,24,26).
What are the key properties of [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate?
[4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate has a molecular weight of 377.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoylamino)-3-pyridinyl] 4-ethoxybenzoate is sourced from PubChem (CID 166429594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).