N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C13H16BrN3O2 — CID 103122509

IUPACN-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16BrN3O2/c1-16(8-10(14)9-19-2)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10H,8-9H2,1-2H3
InChIKeyMWKDRTKDTGALFY-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.82
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122509) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122509
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16BrN3O2/c1-16(8-10(14)9-19-2)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10H,8-9H2,1-2H3
InChIKeyMWKDRTKDTGALFY-UHFFFAOYSA-N
XLogP1.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117934
N-(2-bromo-3-methoxypropyl)-N,2-dimethylbenzamide
CID 80670784
N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122839
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
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-methyl-N-[3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117272
N-(2-amino-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103123058
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80678208
N-(2-bromo-3-methoxypropyl)-N,2,3-trimethylbenzamide
CID 80671445

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122509) is N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is COCC(Br)CN(C)C(=O)c1cnn2ccccc12.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is MWKDRTKDTGALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-16(8-10(14)9-19-2)13(18)11-7-15-17-6-4-3-5-12(11)17/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).