N-(6-acetamido-2-pyridinyl)prop-2-enamide

C10H11N3O2 — CID 86071301

IUPACN-(6-acetamido-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc(NC(C)=O)n1
InChIInChI=1S/C10H11N3O2/c1-3-10(15)13-9-6-4-5-8(12-9)11-7(2)14/h3-6H,1H2,2H3,(H2,11,12,13,14,15)
InChIKeyQMSKVFNOISDAPE-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.16
Rot. Bonds3

About N-(6-acetamido-2-pyridinyl)prop-2-enamide

N-(6-acetamido-2-pyridinyl)prop-2-enamide (PubChem CID 86071301) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(6-acetamido-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-acetamido-2-pyridinyl)prop-2-enamide
PubChem CID86071301
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(6-acetamido-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc(NC(C)=O)n1
InChIInChI=1S/C10H11N3O2/c1-3-10(15)13-9-6-4-5-8(12-9)11-7(2)14/h3-6H,1H2,2H3,(H2,11,12,13,14,15)
InChIKeyQMSKVFNOISDAPE-UHFFFAOYSA-N
XLogP1.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.16
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 N-(6-acetamido-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(6-acetamido-2-pyridinyl)prop-2-enamide (CID 86071301) is N-(6-acetamido-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(6-acetamido-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(6-acetamido-2-pyridinyl)prop-2-enamide is C=CC(=O)Nc1cccc(NC(C)=O)n1.
What is the InChIKey of N-(6-acetamido-2-pyridinyl)prop-2-enamide?
The InChIKey is QMSKVFNOISDAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-10(15)13-9-6-4-5-8(12-9)11-7(2)14/h3-6H,1H2,2H3,(H2,11,12,13,14,15).
What are the key properties of N-(6-acetamido-2-pyridinyl)prop-2-enamide?
N-(6-acetamido-2-pyridinyl)prop-2-enamide has a molecular weight of 205.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 86071301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).