1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

C13H21Cl2N5O — CID 119430925

IUPAC1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl
InChIInChI=1S/C13H19N5O.2ClH/c1-9-11-7-10(8-16-12(11)18(3)17-9)13(19)15-6-4-5-14-2;;/h7-8,14H,4-6H2,1-3H3,(H,15,19);2*1H
InChIKeyAXDIFDBWEQIWKM-UHFFFAOYSA-N
MW334.25 g/mol
LogP1.46
Rot. Bonds5

About 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119430925) has the molecular formula C13H21Cl2N5O and a molecular weight of 334.25 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119430925
Molecular FormulaC13H21Cl2N5O
Molecular Weight334.25 g/mol
Exact Mass333.11
IUPAC Name1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl
InChIInChI=1S/C13H19N5O.2ClH/c1-9-11-7-10(8-16-12(11)18(3)17-9)13(19)15-6-4-5-14-2;;/h7-8,14H,4-6H2,1-3H3,(H,15,19);2*1H
InChIKeyAXDIFDBWEQIWKM-UHFFFAOYSA-N
XLogP1.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 65031981
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119534871
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 107362564
N-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78845162
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
2-[[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 120533359
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 154834046
N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119565979
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119666075

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119430925) is 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is CNCCCNC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is AXDIFDBWEQIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.2ClH/c1-9-11-7-10(8-16-12(11)18(3)17-9)13(19)15-6-4-5-14-2;;/h7-8,14H,4-6H2,1-3H3,(H,15,19);2*1H.
What are the key properties of 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 334.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119430925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).