4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide

C25H30N6O2 — CID 53159894

IUPAC4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn23)cc1
InChIInChI=1S/C25H30N6O2/c32-24(26-13-16-30-14-2-1-3-15-30)20-9-7-18(8-10-20)23-29-28-22-12-11-21(17-31(22)23)27-25(33)19-5-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,32)(H,27,33)
InChIKeyHJQQZDAFDUMJGN-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.35
Rot. Bonds7

About 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide

4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 53159894) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID53159894
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn23)cc1
InChIInChI=1S/C25H30N6O2/c32-24(26-13-16-30-14-2-1-3-15-30)20-9-7-18(8-10-20)23-29-28-22-12-11-21(17-31(22)23)27-25(33)19-5-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,32)(H,27,33)
InChIKeyHJQQZDAFDUMJGN-UHFFFAOYSA-N
XLogP3.35
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide
CID 53159880
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
3-[4-(cyclopropylmethyl)-1-methylpiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068892
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 3238521
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide (CID 53159894) is 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)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-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is HJQQZDAFDUMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-24(26-13-16-30-14-2-1-3-15-30)20-9-7-18(8-10-20)23-29-28-22-12-11-21(17-31(22)23)27-25(33)19-5-4-6-19/h7-12,17,19H,1-6,13-16H2,(H,26,32)(H,27,33).
What are the key properties of 4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide?
4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 446.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 53159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).