N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide

C10H12N2O3 — CID 138105998

IUPACN-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC)nc1OC
InChIInChI=1S/C10H12N2O3/c1-4-8(13)11-7-5-6-9(14-2)12-10(7)15-3/h4-6H,1H2,2-3H3,(H,11,13)
InChIKeyUYBGQHATPSDNSI-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.22
Rot. Bonds4

About N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide

N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide (PubChem CID 138105998) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
PubChem CID138105998
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC)nc1OC
InChIInChI=1S/C10H12N2O3/c1-4-8(13)11-7-5-6-9(14-2)12-10(7)15-3/h4-6H,1H2,2-3H3,(H,11,13)
InChIKeyUYBGQHATPSDNSI-UHFFFAOYSA-N
XLogP1.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide (CID 138105998) is N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1ccc(OC)nc1OC.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is UYBGQHATPSDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-4-8(13)11-7-5-6-9(14-2)12-10(7)15-3/h4-6H,1H2,2-3H3,(H,11,13).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide?
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 208.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 138105998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).