N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide

C17H19N5O3 — CID 58563671

IUPACN-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2n(n1)CCC(C(=O)c1ccc(N(C)C)nc1)C2=O
InChIInChI=1S/C17H19N5O3/c1-10(23)19-14-8-13-17(25)12(6-7-22(13)20-14)16(24)11-4-5-15(18-9-11)21(2)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyMZGGOBWYTSFYLO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.39
Rot. Bonds4

About N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide

N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 58563671) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID58563671
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2n(n1)CCC(C(=O)c1ccc(N(C)C)nc1)C2=O
InChIInChI=1S/C17H19N5O3/c1-10(23)19-14-8-13-17(25)12(6-7-22(13)20-14)16(24)11-4-5-15(18-9-11)21(2)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyMZGGOBWYTSFYLO-UHFFFAOYSA-N
XLogP1.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide (CID 58563671) is N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1cc2n(n1)CCC(C(=O)c1ccc(N(C)C)nc1)C2=O.
What is the InChIKey of N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is MZGGOBWYTSFYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-10(23)19-14-8-13-17(25)12(6-7-22(13)20-14)16(24)11-4-5-15(18-9-11)21(2)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,19,20,23).
What are the key properties of N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide?
N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(dimethylamino)pyridine-3-carbonyl]-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 58563671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).