4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide

C21H23N5O2 — CID 53159880

IUPAC4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn23)cc1
InChIInChI=1S/C21H23N5O2/c1-13(2)22-20(27)16-8-6-14(7-9-16)19-25-24-18-11-10-17(12-26(18)19)23-21(28)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyYPXLOUCQJGRPCT-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.27
Rot. Bonds5

About 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide

4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 53159880) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide
PubChem CID53159880
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn23)cc1
InChIInChI=1S/C21H23N5O2/c1-13(2)22-20(27)16-8-6-14(7-9-16)19-25-24-18-11-10-17(12-26(18)19)23-21(28)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyYPXLOUCQJGRPCT-UHFFFAOYSA-N
XLogP3.27
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 53159894
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
N-(2-bromo-3-methylimidazo[1,2-a]pyridin-6-yl)cyclobutanecarboxamide
CID 115268776
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
CID 7532653
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
4-(cyclobutanecarbonylamino)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95120085
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
4-(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 53159851
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide (CID 53159880) is 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn23)cc1.
What is the InChIKey of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is YPXLOUCQJGRPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(2)22-20(27)16-8-6-14(7-9-16)19-25-24-18-11-10-17(12-26(18)19)23-21(28)15-4-3-5-15/h6-13,15H,3-5H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide?
4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 377.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53159880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).