N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide

C17H19N3O3S — CID 113029114

IUPACN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-16(14-2-1-11-24-14)19-15-4-3-13(12-18-15)20-7-5-17(6-8-20)22-9-10-23-17/h1-4,11-12H,5-10H2,(H,18,19,21)
InChIKeyRZGFRBNWDQHFTR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.74
Rot. Bonds3

About N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide

N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113029114) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113029114
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-16(14-2-1-11-24-14)19-15-4-3-13(12-18-15)20-7-5-17(6-8-20)22-9-10-23-17/h1-4,11-12H,5-10H2,(H,18,19,21)
InChIKeyRZGFRBNWDQHFTR-UHFFFAOYSA-N
XLogP2.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-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

N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]-3-fluorobenzamide
CID 113029120
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087
N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]thiophene-2-carboxamide
CID 113043097
[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-thiophen-2-ylmethanone
CID 55677746
N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191186
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 113029114) is N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCC3(CC2)OCCO3)cn1)c1cccs1.
What is the InChIKey of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is RZGFRBNWDQHFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(14-2-1-11-24-14)19-15-4-3-13(12-18-15)20-7-5-17(6-8-20)22-9-10-23-17/h1-4,11-12H,5-10H2,(H,18,19,21).
What are the key properties of N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113029114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).