N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H22N4O2 — CID 97100665

IUPACN-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCO[C@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)C12CCCC2
InChIInChI=1S/C17H22N4O2/c1-2-23-14-9-13(17(14)7-3-4-8-17)19-16(22)12-5-6-15-20-18-11-21(15)10-12/h5-6,10-11,13-14H,2-4,7-9H2,1H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyVCFUOLBSJYEOCF-KGLIPLIRSA-N
MW314.39 g/mol
LogP2.20
Rot. Bonds4

About N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97100665) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID97100665
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCO[C@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)C12CCCC2
InChIInChI=1S/C17H22N4O2/c1-2-23-14-9-13(17(14)7-3-4-8-17)19-16(22)12-5-6-15-20-18-11-21(15)10-12/h5-6,10-11,13-14H,2-4,7-9H2,1H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyVCFUOLBSJYEOCF-KGLIPLIRSA-N
XLogP2.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-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-(3-ethoxyspiro[3.4]octan-1-yl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 75379390
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
N-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 97100539
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
1-benzyl-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]triazole-4-carboxamide
CID 97100576
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
4-[3-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-3-oxopropoxy]benzamide
CID 99813900

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97100665) is N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCO[C@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)C12CCCC2.
What is the InChIKey of N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is VCFUOLBSJYEOCF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-23-14-9-13(17(14)7-3-4-8-17)19-16(22)12-5-6-15-20-18-11-21(15)10-12/h5-6,10-11,13-14H,2-4,7-9H2,1H3,(H,19,22)/t13-,14+/m1/s1.
What are the key properties of N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97100665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).