4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide

C21H25N5O3 — CID 172672246

IUPAC4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)NCCCc1nnc2ccccn12
InChIInChI=1S/C21H25N5O3/c1-15-9-12-25(14-16-6-5-13-29-16)21(28)19(15)20(27)22-10-4-8-18-24-23-17-7-2-3-11-26(17)18/h2-3,7,9,11-12,16H,4-6,8,10,13-14H2,1H3,(H,22,27)
InChIKeyUFYCQRLAHAUEFD-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.74
Rot. Bonds7

About 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide

4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide (PubChem CID 172672246) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
PubChem CID172672246
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)NCCCc1nnc2ccccn12
InChIInChI=1S/C21H25N5O3/c1-15-9-12-25(14-16-6-5-13-29-16)21(28)19(15)20(27)22-10-4-8-18-24-23-17-7-2-3-11-26(17)18/h2-3,7,9,11-12,16H,4-6,8,10,13-14H2,1H3,(H,22,27)
InChIKeyUFYCQRLAHAUEFD-UHFFFAOYSA-N
XLogP1.74
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-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

2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 124559872
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyridine-3-carboxamide
CID 172671508
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735
4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51208285
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
4-methyl-N-(1-methylbenzotriazol-4-yl)-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172662084
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyridine-3-carboxamide
CID 172670300
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172666834
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820
1-ethyl-2-(oxolan-2-ylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111136494
1-[(3aS,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 100894390
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide (CID 172672246) is 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)NCCCc1nnc2ccccn12.
What is the InChIKey of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide?
The InChIKey is UFYCQRLAHAUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15-9-12-25(14-16-6-5-13-29-16)21(28)19(15)20(27)22-10-4-8-18-24-23-17-7-2-3-11-26(17)18/h2-3,7,9,11-12,16H,4-6,8,10,13-14H2,1H3,(H,22,27).
What are the key properties of 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide?
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 172672246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).