N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide

C23H22N4O3S — CID 139460048

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2C(=O)CCC23COC3)nc1
InChIInChI=1S/C23H22N4O3S/c24-18-6-4-15(20-2-1-9-31-20)10-19(18)26-22(29)16-3-5-17(25-11-16)12-27-21(28)7-8-23(27)13-30-14-23/h1-6,9-11H,7-8,12-14,24H2,(H,26,29)
InChIKeyVNPGYHURPADVFP-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.54
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 139460048) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide
PubChem CID139460048
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2C(=O)CCC23COC3)nc1
InChIInChI=1S/C23H22N4O3S/c24-18-6-4-15(20-2-1-9-31-20)10-19(18)26-22(29)16-3-5-17(25-11-16)12-27-21(28)7-8-23(27)13-30-14-23/h1-6,9-11H,7-8,12-14,24H2,(H,26,29)
InChIKeyVNPGYHURPADVFP-UHFFFAOYSA-N
XLogP3.54
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-[(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)methyl]benzamide
CID 139460401
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(2-cyclopropyl-6-oxo-2,5-diazaspiro[3.4]octan-5-yl)methyl]benzamide
CID 139460044
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,9-diazaspiro[5.5]undecan-2-yl)pyridine-3-carboxamide
CID 139451621
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 139460390
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4,4-dimethyl-1,4-azasilinan-1-yl)pyridine-3-carboxamide
CID 25184385
N-(2-amino-5-thiophen-2-ylphenyl)-2-[[4-methyl-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 121405098
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
[1-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]phosphonic acid
CID 69003485
CID 88928326
CID 88928326
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide (CID 139460048) is N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CN2C(=O)CCC23COC3)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VNPGYHURPADVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c24-18-6-4-15(20-2-1-9-31-20)10-19(18)26-22(29)16-3-5-17(25-11-16)12-27-21(28)7-8-23(27)13-30-14-23/h1-6,9-11H,7-8,12-14,24H2,(H,26,29).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-[(6-oxo-2-oxa-5-azaspiro[3.4]octan-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 139460048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).