N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

C21H26N6O4 — CID 144600726

IUPACN-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(N3CCC4(CC3)CC(C(=O)N3CC(O)C3)C4)nc2)o1
InChIInChI=1S/C21H26N6O4/c1-13-24-25-19(31-13)18(29)23-15-2-3-17(22-10-15)26-6-4-21(5-7-26)8-14(9-21)20(30)27-11-16(28)12-27/h2-3,10,14,16,28H,4-9,11-12H2,1H3,(H,23,29)
InChIKeyFQUQBFRDLODJQW-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.23
Rot. Bonds4

About N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 144600726) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID144600726
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nnc(C(=O)Nc2ccc(N3CCC4(CC3)CC(C(=O)N3CC(O)C3)C4)nc2)o1
InChIInChI=1S/C21H26N6O4/c1-13-24-25-19(31-13)18(29)23-15-2-3-17(22-10-15)26-6-4-21(5-7-26)8-14(9-21)20(30)27-11-16(28)12-27/h2-3,10,14,16,28H,4-9,11-12H2,1H3,(H,23,29)
InChIKeyFQUQBFRDLODJQW-UHFFFAOYSA-N
XLogP1.23
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-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

1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
N-(4-acetamidophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392922
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-[[(2E)-4-fluoroocta-2,7-dien-3-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 143243235
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
N-hydroperoxy-6-(2-methyl-7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
CID 144600692
5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464215

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 144600726) is N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nnc(C(=O)Nc2ccc(N3CCC4(CC3)CC(C(=O)N3CC(O)C3)C4)nc2)o1.
What is the InChIKey of N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FQUQBFRDLODJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-13-24-25-19(31-13)18(29)23-15-2-3-17(22-10-15)26-6-4-21(5-7-26)8-14(9-21)20(30)27-11-16(28)12-27/h2-3,10,14,16,28H,4-9,11-12H2,1H3,(H,23,29).
What are the key properties of N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-hydroxyazetidine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 144600726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).