6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine

C26H35N3O3 — CID 142197560

About 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine

6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine (PubChem CID 142197560) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine.

Molecular Properties

• Compound Name: 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
• PubChem CID: 142197560
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine
• SMILES: C=C/C=C(\CC)CNCc1cc(OC(C)C)cc(C(=C)C)c1.Nc1ccc(C(=O)O)cn1
• InChI: InChI=1S/C20H29NO.C6H6N2O2/c1-7-9-17(8-2)13-21-14-18-10-19(15(3)4)12-20(11-18)22-16(5)6;7-5-2-1-4(3-8-5)6(9)10/h7,9-12,16,21H,1,3,8,13-14H2,2,4-6H3;1-3H,(H2,7,8)(H,9,10)/b17-9+
• InChIKey: CKKUFNMGDGIPNO-WWIHJBQESA-N
• XLogP: 5.48
• TPSA: 97.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?

The IUPAC name of 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine (CID 142197560) is 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine.

What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?

The canonical SMILES for 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine is C=C/C=C(\CC)CNCc1cc(OC(C)C)cc(C(=C)C)c1.Nc1ccc(C(=O)O)cn1.

What is the InChIKey of 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?

The InChIKey is CKKUFNMGDGIPNO-WWIHJBQESA-N. The full InChI is InChI=1S/C20H29NO.C6H6N2O2/c1-7-9-17(8-2)13-21-14-18-10-19(15(3)4)12-20(11-18)22-16(5)6;7-5-2-1-4(3-8-5)6(9)10/h7,9-12,16,21H,1,3,8,13-14H2,2,4-6H3;1-3H,(H2,7,8)(H,9,10)/b17-9+;.

What are the key properties of 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine?

6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine has a molecular weight of 437.58 g/mol, XLogP of 5.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-aminopyridine-3-carboxylic acid;(2E)-2-ethyl-N-[(3-propan-2-yloxy-5-prop-1-en-2-ylphenyl)methyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 142197560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).