6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide

C13H12N2O3 — CID 45497150

IUPAC6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc(=O)oc1
InChIInChI=1S/C13H12N2O3/c16-12-2-1-11(9-18-12)13(17)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,17)
InChIKeyBQDHYIREODUVOW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.01
Rot. Bonds4

About 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide

6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide (PubChem CID 45497150) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
PubChem CID45497150
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCc1ccncc1)c1ccc(=O)oc1
InChIInChI=1S/C13H12N2O3/c16-12-2-1-11(9-18-12)13(17)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,17)
InChIKeyBQDHYIREODUVOW-UHFFFAOYSA-N
XLogP1.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
N-(2-methoxyethyl)-6-oxopyran-3-carboxamide
CID 110697442
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
N-(3-hydroxybutyl)-6-oxopyran-3-carboxamide
CID 64911371
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-(2-pyridin-4-ylethyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112530202

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide (CID 45497150) is 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide is O=C(NCCc1ccncc1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide?
The InChIKey is BQDHYIREODUVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12-2-1-11(9-18-12)13(17)15-8-5-10-3-6-14-7-4-10/h1-4,6-7,9H,5,8H2,(H,15,17).
What are the key properties of 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide?
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 45497150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).