(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide

C9H11N3O — CID 144636929

IUPAC(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1nc(N)ccc1/C=C/C(N)=O
InChIInChI=1S/C9H11N3O/c1-6-7(3-5-9(11)13)2-4-8(10)12-6/h2-5H,1H3,(H2,10,12)(H2,11,13)/b5-3+
InChIKeySCADLKZQJUVHNI-HWKANZROSA-N
MW177.21 g/mol
LogP0.47
Rot. Bonds2

About (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide

(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 144636929) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide
PubChem CID144636929
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide
SMILESCc1nc(N)ccc1/C=C/C(N)=O
InChIInChI=1S/C9H11N3O/c1-6-7(3-5-9(11)13)2-4-8(10)12-6/h2-5H,1H3,(H2,10,12)(H2,11,13)/b5-3+
InChIKeySCADLKZQJUVHNI-HWKANZROSA-N
XLogP0.47
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide (CID 144636929) is (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide is Cc1nc(N)ccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is SCADLKZQJUVHNI-HWKANZROSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-7(3-5-9(11)13)2-4-8(10)12-6/h2-5H,1H3,(H2,10,12)(H2,11,13)/b5-3+.
What are the key properties of (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide?
(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide has a molecular weight of 177.21 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 144636929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).