4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide

C21H28N6O2 — CID 154797764

IUPAC4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCC(NC(=O)c3ccccc3C)CC1)CC2
InChIInChI=1S/C21H28N6O2/c1-14-5-3-4-6-18(14)20(28)23-16-9-11-26(12-10-16)21(29)24-17-7-8-19-22-15(2)25-27(19)13-17/h3-6,16-17H,7-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyPJYUQTWQDYECNE-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.81
Rot. Bonds3

About 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide

4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide (PubChem CID 154797764) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
PubChem CID154797764
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide
SMILESCc1nc2n(n1)CC(NC(=O)N1CCC(NC(=O)c3ccccc3C)CC1)CC2
InChIInChI=1S/C21H28N6O2/c1-14-5-3-4-6-18(14)20(28)23-16-9-11-26(12-10-16)21(29)24-17-7-8-19-22-15(2)25-27(19)13-17/h3-6,16-17H,7-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyPJYUQTWQDYECNE-UHFFFAOYSA-N
XLogP1.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide 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

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
CID 166185767
6-chloro-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99795052
3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
CID 119770741
N-[2-[[ethylamino-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111995202
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
(2R)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 95312243
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 154798138

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide (CID 154797764) is 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide is Cc1nc2n(n1)CC(NC(=O)N1CCC(NC(=O)c3ccccc3C)CC1)CC2.
What is the InChIKey of 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide?
The InChIKey is PJYUQTWQDYECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-5-3-4-6-18(14)20(28)23-16-9-11-26(12-10-16)21(29)24-17-7-8-19-22-15(2)25-27(19)13-17/h3-6,16-17H,7-13H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide?
4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzoyl)amino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154797764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).