N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C12H12N4O — CID 113412163

IUPACN-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESN#CCCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H12N4O/c13-6-2-3-7-14-12(17)10-9-15-16-8-4-1-5-11(10)16/h1,4-5,8-9H,2-3,7H2,(H,14,17)
InChIKeyFBBJETDXXWXCEA-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.37
Rot. Bonds4

About N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 113412163) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID113412163
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESN#CCCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H12N4O/c13-6-2-3-7-14-12(17)10-9-15-16-8-4-1-5-11(10)16/h1,4-5,8-9H,2-3,7H2,(H,14,17)
InChIKeyFBBJETDXXWXCEA-UHFFFAOYSA-N
XLogP1.37
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114147488
N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175830935
2-hydroxy-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)butanoic acid
CID 114006253
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
CID 119241632
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120564
(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 107833160
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 113412163) is N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is N#CCCCNC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FBBJETDXXWXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-6-2-3-7-14-12(17)10-9-15-16-8-4-1-5-11(10)16/h1,4-5,8-9H,2-3,7H2,(H,14,17).
What are the key properties of N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 113412163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).