N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

C14H20N4O2 — CID 46395141

IUPACN-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccc2c(C)nn(C)c2c1=O
InChIInChI=1S/C14H20N4O2/c1-5-9(2)15-12(19)8-18-7-6-11-10(3)16-17(4)13(11)14(18)20/h6-7,9H,5,8H2,1-4H3,(H,15,19)
InChIKeyLHSXIUHZAVGVFS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.96
Rot. Bonds4

About N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395141) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395141
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccc2c(C)nn(C)c2c1=O
InChIInChI=1S/C14H20N4O2/c1-5-9(2)15-12(19)8-18-7-6-11-10(3)16-17(4)13(11)14(18)20/h6-7,9H,5,8H2,1-4H3,(H,15,19)
InChIKeyLHSXIUHZAVGVFS-UHFFFAOYSA-N
XLogP0.96
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-(tert-butyl)-4-methyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-propylacetamide
CID 44036961
N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395087
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
CID 46395094
N-cyclopropyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395097
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46395165
N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395173
N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395180
2-{1,3-Dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-C]pyridin-6-YL}-N-[(2-fluorophenyl)methyl]acetamide
CID 46395190
N-(1-methyl-2-oxo-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72014460
N-(3-methylbutyl)-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-b]indazol-2-yl}acetamide
CID 91890109
N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxo-1,7-dihydro-6H-pyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 46395086
6-[2-(Azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one
CID 46395089

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395141) is N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is CCC(C)NC(=O)Cn1ccc2c(C)nn(C)c2c1=O.
What is the InChIKey of N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is LHSXIUHZAVGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-9(2)15-12(19)8-18-7-6-11-10(3)16-17(4)13(11)14(18)20/h6-7,9H,5,8H2,1-4H3,(H,15,19).
What are the key properties of N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).