N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide

C12H13N3O3 — CID 173273866

IUPACN-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide
SMILESC=CC(=O)N(CC=O)c1ncccc1C(=O)NC
InChIInChI=1S/C12H13N3O3/c1-3-10(17)15(7-8-16)11-9(12(18)13-2)5-4-6-14-11/h3-6,8H,1,7H2,2H3,(H,13,18)
InChIKeyHKOOMVBSGFFIFN-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.16
Rot. Bonds5

About N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide

N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide (PubChem CID 173273866) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide
PubChem CID173273866
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide
SMILESC=CC(=O)N(CC=O)c1ncccc1C(=O)NC
InChIInChI=1S/C12H13N3O3/c1-3-10(17)15(7-8-16)11-9(12(18)13-2)5-4-6-14-11/h3-6,8H,1,7H2,2H3,(H,13,18)
InChIKeyHKOOMVBSGFFIFN-UHFFFAOYSA-N
XLogP0.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide (CID 173273866) is N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide is C=CC(=O)N(CC=O)c1ncccc1C(=O)NC.
What is the InChIKey of N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide?
The InChIKey is HKOOMVBSGFFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-10(17)15(7-8-16)11-9(12(18)13-2)5-4-6-14-11/h3-6,8H,1,7H2,2H3,(H,13,18).
What are the key properties of N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide?
N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 173273866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).