1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea

C22H25N5O3 — CID 142995964

IUPAC1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea
SMILESCCNC(=O)N/C(N)=N/c1ccc(-c2cccnc2)cc1-c1ccc(COCC)o1
InChIInChI=1S/C22H25N5O3/c1-3-25-22(28)27-21(23)26-19-9-7-15(16-6-5-11-24-13-16)12-18(19)20-10-8-17(30-20)14-29-4-2/h5-13H,3-4,14H2,1-2H3,(H4,23,25,26,27,28)
InChIKeyOBJJMLBRTOMXPO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.81
Rot. Bonds7

About 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea

1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea (PubChem CID 142995964) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea.

Molecular Properties

Compound Name1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea
PubChem CID142995964
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea
SMILESCCNC(=O)N/C(N)=N/c1ccc(-c2cccnc2)cc1-c1ccc(COCC)o1
InChIInChI=1S/C22H25N5O3/c1-3-25-22(28)27-21(23)26-19-9-7-15(16-6-5-11-24-13-16)12-18(19)20-10-8-17(30-20)14-29-4-2/h5-13H,3-4,14H2,1-2H3,(H4,23,25,26,27,28)
InChIKeyOBJJMLBRTOMXPO-UHFFFAOYSA-N
XLogP3.81
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea 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 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea?
The IUPAC name of 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea (CID 142995964) is 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea.
What is the SMILES notation for 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea?
The canonical SMILES for 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea is CCNC(=O)N/C(N)=N/c1ccc(-c2cccnc2)cc1-c1ccc(COCC)o1.
What is the InChIKey of 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea?
The InChIKey is OBJJMLBRTOMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-25-22(28)27-21(23)26-19-9-7-15(16-6-5-11-24-13-16)12-18(19)20-10-8-17(30-20)14-29-4-2/h5-13H,3-4,14H2,1-2H3,(H4,23,25,26,27,28).
What are the key properties of 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea?
1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea has a molecular weight of 407.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[2-[5-(ethoxymethyl)furan-2-yl]-4-pyridin-3-ylphenyl]carbamimidoyl]-3-ethylurea is sourced from PubChem (CID 142995964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).