N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide

C13H20N4O — CID 166262707

IUPACN-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1N(C(=O)NCC1CCC1)CCC2
InChIInChI=1S/C13H20N4O/c1-9-12-11(16-15-9)6-3-7-17(12)13(18)14-8-10-4-2-5-10/h10H,2-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyKRHZGBMXCLTHGY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds2

About N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide

N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide (PubChem CID 166262707) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
PubChem CID166262707
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2c1N(C(=O)NCC1CCC1)CCC2
InChIInChI=1S/C13H20N4O/c1-9-12-11(16-15-9)6-3-7-17(12)13(18)14-8-10-4-2-5-10/h10H,2-8H2,1H3,(H,14,18)(H,15,16)
InChIKeyKRHZGBMXCLTHGY-UHFFFAOYSA-N
XLogP1.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide (CID 166262707) is N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide is Cc1[nH]nc2c1N(C(=O)NCC1CCC1)CCC2.
What is the InChIKey of N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
The InChIKey is KRHZGBMXCLTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-12-11(16-15-9)6-3-7-17(12)13(18)14-8-10-4-2-5-10/h10H,2-8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide?
N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methyl-2,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 166262707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).