N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide

C15H15N3O4 — CID 136566797

IUPACN-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)c1cc2c(cn1)OCCO2
InChIInChI=1S/C15H15N3O4/c1-18(9-10-3-2-4-14(19)17-10)15(20)11-7-12-13(8-16-11)22-6-5-21-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,19)
InChIKeyTTZYNIJULZEZNH-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide

N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide (PubChem CID 136566797) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
PubChem CID136566797
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)c1cc2c(cn1)OCCO2
InChIInChI=1S/C15H15N3O4/c1-18(9-10-3-2-4-14(19)17-10)15(20)11-7-12-13(8-16-11)22-6-5-21-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,19)
InChIKeyTTZYNIJULZEZNH-UHFFFAOYSA-N
XLogP0.81
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide (CID 136566797) is N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide is CN(Cc1cccc(=O)[nH]1)C(=O)c1cc2c(cn1)OCCO2.
What is the InChIKey of N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
The InChIKey is TTZYNIJULZEZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-18(9-10-3-2-4-14(19)17-10)15(20)11-7-12-13(8-16-11)22-6-5-21-12/h2-4,7-8H,5-6,9H2,1H3,(H,17,19).
What are the key properties of N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide?
N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-oxo-1H-pyridin-2-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 136566797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).