2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C20H27N5O5S — CID 167568395

IUPAC2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESC=C1NC(CCCS(N)(=O)=O)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1
InChIInChI=1S/C20H27N5O5S/c1-12-24-16(5-3-7-31(22,28)29)19(27)25(12)13-8-20(9-13)10-14(11-20)30-18-15(17(21)26)4-2-6-23-18/h2,4,6,13-14,16,24H,1,3,5,7-11H2,(H2,21,26)(H2,22,28,29)
InChIKeyDDDHRMWVWCWYOV-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.21
Rot. Bonds8

About 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 167568395) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID167568395
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESC=C1NC(CCCS(N)(=O)=O)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1
InChIInChI=1S/C20H27N5O5S/c1-12-24-16(5-3-7-31(22,28)29)19(27)25(12)13-8-20(9-13)10-14(11-20)30-18-15(17(21)26)4-2-6-23-18/h2,4,6,13-14,16,24H,1,3,5,7-11H2,(H2,21,26)(H2,22,28,29)
InChIKeyDDDHRMWVWCWYOV-UHFFFAOYSA-N
XLogP0.21
TPSA157.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 167710900
tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate
CID 167710905
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406315
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-8-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide
CID 130248314
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carboxamide
CID 102930554
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
2-(2-aminospiro[3.3]heptan-7-yl)oxypyridine-3-carboxamide
CID 142516355
2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 71145261
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 167568395) is 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is C=C1NC(CCCS(N)(=O)=O)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1.
What is the InChIKey of 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is DDDHRMWVWCWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-12-24-16(5-3-7-31(22,28)29)19(27)25(12)13-8-20(9-13)10-14(11-20)30-18-15(17(21)26)4-2-6-23-18/h2,4,6,13-14,16,24H,1,3,5,7-11H2,(H2,21,26)(H2,22,28,29).
What are the key properties of 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 167568395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).