3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide

C16H22N4O3 — CID 124749555

IUPAC3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
SMILESCN1C[C@@]2(CCCN(CCC(=O)Nc3cccnc3)C2)OC1=O
InChIInChI=1S/C16H22N4O3/c1-19-11-16(23-15(19)22)6-3-8-20(12-16)9-5-14(21)18-13-4-2-7-17-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyATGRKHKVGNFEAE-MRXNPFEDSA-N
MW318.38 g/mol
LogP1.33
Rot. Bonds4

About 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide

3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide (PubChem CID 124749555) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
PubChem CID124749555
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide
SMILESCN1C[C@@]2(CCCN(CCC(=O)Nc3cccnc3)C2)OC1=O
InChIInChI=1S/C16H22N4O3/c1-19-11-16(23-15(19)22)6-3-8-20(12-16)9-5-14(21)18-13-4-2-7-17-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,18,21)/t16-/m1/s1
InChIKeyATGRKHKVGNFEAE-MRXNPFEDSA-N
XLogP1.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91833234
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
CID 90951013
(5R)-9-[2-(4-chloropyrazol-1-yl)ethyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 124750783
2-[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95726725
(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126427748
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95729019

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide (CID 124749555) is 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide is CN1C[C@@]2(CCCN(CCC(=O)Nc3cccnc3)C2)OC1=O.
What is the InChIKey of 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is ATGRKHKVGNFEAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-11-16(23-15(19)22)6-3-8-20(12-16)9-5-14(21)18-13-4-2-7-17-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,18,21)/t16-/m1/s1.
What are the key properties of 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide?
3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 318.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 124749555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).