N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C13H16N4OS — CID 103117934

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(CN(C)C(=O)c1cnn2ccccc12)C(N)=S
InChIInChI=1S/C13H16N4OS/c1-9(12(14)19)8-16(2)13(18)10-7-15-17-6-4-3-5-11(10)17/h3-7,9H,8H2,1-2H3,(H2,14,19)
InChIKeyNRENXNTVPLJDQU-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.33
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103117934) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103117934
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(CN(C)C(=O)c1cnn2ccccc12)C(N)=S
InChIInChI=1S/C13H16N4OS/c1-9(12(14)19)8-16(2)13(18)10-7-15-17-6-4-3-5-11(10)17/h3-7,9H,8H2,1-2H3,(H2,14,19)
InChIKeyNRENXNTVPLJDQU-UHFFFAOYSA-N
XLogP1.33
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122509
N-[(3-aminocyclobutyl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123141
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676
N-(1-hydroxypropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103874523
N-(3-aminopropyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115836
N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122839
N-methyl-N-[3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117272
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117931
2-[butan-2-yl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103826055
N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122446343
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107483137

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 103117934) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CC(CN(C)C(=O)c1cnn2ccccc12)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NRENXNTVPLJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(12(14)19)8-16(2)13(18)10-7-15-17-6-4-3-5-11(10)17/h3-7,9H,8H2,1-2H3,(H2,14,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103117934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).