N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H26N6O2 — CID 131648928

IUPACN-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nnc3ccc(C(=O)NC4CCC4)cn23)C1
InChIInChI=1S/C19H26N6O2/c1-12(2)20-19(27)24-9-8-13(10-24)17-23-22-16-7-6-14(11-25(16)17)18(26)21-15-4-3-5-15/h6-7,11-13,15H,3-5,8-10H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyDGSDWHIKDPQXRN-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.92
Rot. Bonds4

About N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131648928) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID131648928
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nnc3ccc(C(=O)NC4CCC4)cn23)C1
InChIInChI=1S/C19H26N6O2/c1-12(2)20-19(27)24-9-8-13(10-24)17-23-22-16-7-6-14(11-25(16)17)18(26)21-15-4-3-5-15/h6-7,11-13,15H,3-5,8-10H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyDGSDWHIKDPQXRN-UHFFFAOYSA-N
XLogP1.92
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131648928) is N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)NC(=O)N1CCC(c2nnc3ccc(C(=O)NC4CCC4)cn23)C1.
What is the InChIKey of N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is DGSDWHIKDPQXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(2)20-19(27)24-9-8-13(10-24)17-23-22-16-7-6-14(11-25(16)17)18(26)21-15-4-3-5-15/h6-7,11-13,15H,3-5,8-10H2,1-2H3,(H,20,27)(H,21,26).
What are the key properties of N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).