N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide

C17H16ClN3O3 — CID 23049026

IUPACN-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(=O)n(C2=CC(C)(C)Oc3ccncc32)c1
InChIInChI=1S/C17H16ClN3O3/c1-10(22)20-11-6-13(18)16(23)21(9-11)14-7-17(2,3)24-15-4-5-19-8-12(14)15/h4-9H,1-3H3,(H,20,22)
InChIKeyNNISVGBGQWUCOF-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.92
Rot. Bonds2

About N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide

N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide (PubChem CID 23049026) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide
PubChem CID23049026
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(=O)n(C2=CC(C)(C)Oc3ccncc32)c1
InChIInChI=1S/C17H16ClN3O3/c1-10(22)20-11-6-13(18)16(23)21(9-11)14-7-17(2,3)24-15-4-5-19-8-12(14)15/h4-9H,1-3H3,(H,20,22)
InChIKeyNNISVGBGQWUCOF-UHFFFAOYSA-N
XLogP2.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide (CID 23049026) is N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(Cl)c(=O)n(C2=CC(C)(C)Oc3ccncc32)c1.
What is the InChIKey of N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide?
The InChIKey is NNISVGBGQWUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10(22)20-11-6-13(18)16(23)21(9-11)14-7-17(2,3)24-15-4-5-19-8-12(14)15/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide?
N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-6-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 23049026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).