N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide

C15H19N3O4 — CID 100909124

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCN(C)C(=O)Cn1cccc(NC(=O)C2=CCCCO2)c1=O
InChIInChI=1S/C15H19N3O4/c1-17(2)13(19)10-18-8-5-6-11(15(18)21)16-14(20)12-7-3-4-9-22-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)
InChIKeyXLDRSCWVDJXLDY-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.57
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 100909124) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID100909124
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCN(C)C(=O)Cn1cccc(NC(=O)C2=CCCCO2)c1=O
InChIInChI=1S/C15H19N3O4/c1-17(2)13(19)10-18-8-5-6-11(15(18)21)16-14(20)12-7-3-4-9-22-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)
InChIKeyXLDRSCWVDJXLDY-UHFFFAOYSA-N
XLogP0.57
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 100909124) is N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide is CN(C)C(=O)Cn1cccc(NC(=O)C2=CCCCO2)c1=O.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is XLDRSCWVDJXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-17(2)13(19)10-18-8-5-6-11(15(18)21)16-14(20)12-7-3-4-9-22-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 100909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).