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

C17H17N3O3 — CID 23049042

IUPACN-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O
InChIInChI=1S/C17H17N3O3/c1-11(21)19-13-5-4-8-20(16(13)22)14-9-17(2,3)23-15-6-7-18-10-12(14)15/h4-10H,1-3H3,(H,19,21)
InChIKeyMSHUAUWGGOMQKF-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds2

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

N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 23049042) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
PubChem CID23049042
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O
InChIInChI=1S/C17H17N3O3/c1-11(21)19-13-5-4-8-20(16(13)22)14-9-17(2,3)23-15-6-7-18-10-12(14)15/h4-10H,1-3H3,(H,19,21)
InChIKeyMSHUAUWGGOMQKF-UHFFFAOYSA-N
XLogP2.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide (CID 23049042) is N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cccn(C2=CC(C)(C)Oc3ccncc32)c1=O.
What is the InChIKey of N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
The InChIKey is MSHUAUWGGOMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(21)19-13-5-4-8-20(16(13)22)14-9-17(2,3)23-15-6-7-18-10-12(14)15/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide?
N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpyrano[3,2-c]pyridin-4-yl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 23049042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).