(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide

C11H13N3O — CID 129162730

IUPAC(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)Nc1cccc(N)n1
InChIInChI=1S/C11H13N3O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h3-7H,1H2,2H3,(H3,12,13,14,15)/b8-5+
InChIKeyDTKGOHFGKWFGIH-VMPITWQZSA-N
MW203.24 g/mol
LogP1.73
Rot. Bonds3

About (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide

(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide (PubChem CID 129162730) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide
PubChem CID129162730
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide
SMILESC=C/C=C(\C)C(=O)Nc1cccc(N)n1
InChIInChI=1S/C11H13N3O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h3-7H,1H2,2H3,(H3,12,13,14,15)/b8-5+
InChIKeyDTKGOHFGKWFGIH-VMPITWQZSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide (CID 129162730) is (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide is C=C/C=C(\C)C(=O)Nc1cccc(N)n1.
What is the InChIKey of (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide?
The InChIKey is DTKGOHFGKWFGIH-VMPITWQZSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-5-8(2)11(15)14-10-7-4-6-9(12)13-10/h3-7H,1H2,2H3,(H3,12,13,14,15)/b8-5+.
What are the key properties of (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide?
(2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide has a molecular weight of 203.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(6-amino-2-pyridinyl)-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 129162730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).