N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide

C18H26N4O4 — CID 135088449

IUPACN-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
SMILESCCC(=O)N1CCC2(CC1)C[C@](C)(NC(=O)c1cnccn1)[C@@H](O)CO2
InChIInChI=1S/C18H26N4O4/c1-3-15(24)22-8-4-18(5-9-22)12-17(2,14(23)11-26-18)21-16(25)13-10-19-6-7-20-13/h6-7,10,14,23H,3-5,8-9,11-12H2,1-2H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyWSTPHLDNYRUJDR-YOEHRIQHSA-N
MW362.43 g/mol
LogP0.52
Rot. Bonds3

About N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide

N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide (PubChem CID 135088449) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
PubChem CID135088449
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
SMILESCCC(=O)N1CCC2(CC1)C[C@](C)(NC(=O)c1cnccn1)[C@@H](O)CO2
InChIInChI=1S/C18H26N4O4/c1-3-15(24)22-8-4-18(5-9-22)12-17(2,14(23)11-26-18)21-16(25)13-10-19-6-7-20-13/h6-7,10,14,23H,3-5,8-9,11-12H2,1-2H3,(H,21,25)/t14-,17-/m0/s1
InChIKeyWSTPHLDNYRUJDR-YOEHRIQHSA-N
XLogP0.52
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 165427502
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-(methylamino)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-pyridin-4-ylpropanamide
CID 135095062
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 166614505
formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyridine-3-carboxamide
CID 171712900
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 135116356
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-(methylamino)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-phenoxyacetamide;hydrochloride
CID 154916262
N-[(3R,4S)-3-hydroxy-4-methyl-9-(2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-methylimidazole-4-carboxamide
CID 137345673
2-ethoxy-N-[(3R,4S)-3-hydroxy-4-methyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137337369
N-[(3R,4S)-3-hydroxy-4-methyl-9-(5-methyl-2H-triazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylsulfanylacetamide
CID 137338248
N-[(4R,5S)-5-hydroxy-4-methyl-9-(1,3-thiazol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 137345173
N-(4-methyloxan-4-yl)pyrazine-2-carboxamide
CID 138992437

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide (CID 135088449) is N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide is CCC(=O)N1CCC2(CC1)C[C@](C)(NC(=O)c1cnccn1)[C@@H](O)CO2.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The InChIKey is WSTPHLDNYRUJDR-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-15(24)22-8-4-18(5-9-22)12-17(2,14(23)11-26-18)21-16(25)13-10-19-6-7-20-13/h6-7,10,14,23H,3-5,8-9,11-12H2,1-2H3,(H,21,25)/t14-,17-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 135088449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).