6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide

C12H10N2O3 — CID 663113

IUPAC6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c15-11-5-4-9(8-17-11)12(16)14-7-10-3-1-2-6-13-10/h1-6,8H,7H2,(H,14,16)
InChIKeyUDSHKSDEWPKREU-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.96
Rot. Bonds3

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

6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide (PubChem CID 663113) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
PubChem CID663113
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(=O)oc1
InChIInChI=1S/C12H10N2O3/c15-11-5-4-9(8-17-11)12(16)14-7-10-3-1-2-6-13-10/h1-6,8H,7H2,(H,14,16)
InChIKeyUDSHKSDEWPKREU-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxo-6-(pyridin-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2747085
N-(2-chloropyridin-3-yl)-6-oxopyran-3-carboxamide
CID 946154
ethyl 4-hydroxy-5-oxo-1-(pyridin-2-ylmethyl)-2H-pyrrole-3-carboxylate
CID 54737676
(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide
CID 118737948
3-bromo-2-oxo-N-(pyridin-2-ylmethyl)-2H-pyran-5-carboxamide
CID 662038
4-Oxo-4-[(2-pyridinylmethyl)amino]-2-butenoic acid
CID 818477
Methyl 4-oxo-4-(3-pyridinylamino)-2-butenoate
CID 851922
Ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
CID 2745857
4,6-dimethyl-2-oxo-N-(pyridin-2-ylmethyl)-2H-pyran-5-carboxamide
CID 3240023
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)pyran-3-carboxamide
CID 3589163
caerulomycin J
CID 53484027
(E)-ethyl 3-(pyridin-2-yl)acrylate
CID 5371891

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide (CID 663113) is 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide is O=C(NCc1ccccn1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The InChIKey is UDSHKSDEWPKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-5-4-9(8-17-11)12(16)14-7-10-3-1-2-6-13-10/h1-6,8H,7H2,(H,14,16).
What are the key properties of 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide is sourced from PubChem (CID 663113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).