N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

C20H29N3O5 — CID 166614505

IUPACN-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)OC[C@H]1O
InChIInChI=1S/C20H29N3O5/c1-3-16(25)21-19(2)14-20(28-13-15(19)24)7-10-22(11-8-20)18(27)12-23-9-5-4-6-17(23)26/h4-6,9,15,24H,3,7-8,10-14H2,1-2H3,(H,21,25)/t15-,19-/m1/s1
InChIKeyHJLVWRXCYMZUKY-DNVCBOLYSA-N
MW391.47 g/mol
LogP0.28
Rot. Bonds4

About N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide (PubChem CID 166614505) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
PubChem CID166614505
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC NameN-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)OC[C@H]1O
InChIInChI=1S/C20H29N3O5/c1-3-16(25)21-19(2)14-20(28-13-15(19)24)7-10-22(11-8-20)18(27)12-23-9-5-4-6-17(23)26/h4-6,9,15,24H,3,7-8,10-14H2,1-2H3,(H,21,25)/t15-,19-/m1/s1
InChIKeyHJLVWRXCYMZUKY-DNVCBOLYSA-N
XLogP0.28
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
CID 164689718
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]-2-phenoxyacetamide;hydrochloride
CID 154916262
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
N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 135088449
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone;formic acid
CID 166598754
formic acid;N-[(3S,4S)-4-hydroxy-4-methyl-9-[2-(4-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-3-yl]propanamide
CID 166598198
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
2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 135118571
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
formic acid;N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(methylamino)-2-oxoethyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]furan-2-carboxamide
CID 171711429
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
CID 163305287

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The IUPAC name of 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) is N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide is CCC(=O)N[C@]1(C)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)OC[C@H]1O.
What is the InChIKey of N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The InChIKey is HJLVWRXCYMZUKY-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-3-16(25)21-19(2)14-20(28-13-15(19)24)7-10-22(11-8-20)18(27)12-23-9-5-4-6-17(23)26/h4-6,9,15,24H,3,7-8,10-14H2,1-2H3,(H,21,25)/t15-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide is sourced from PubChem (CID 166614505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).