2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide

C18H27N3O4 — CID 86283097

IUPAC2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1C
InChIInChI=1S/C18H27N3O4/c1-11-9-13(16(19)24)17(20-12(11)2)21-5-3-18(4-6-21)14(23)10-15(18)25-8-7-22/h9,14-15,22-23H,3-8,10H2,1-2H3,(H2,19,24)/t14-,15+/m1/s1
InChIKeyNRODABQVDOQDRQ-CABCVRRESA-N
MW349.43 g/mol
LogP0.53
Rot. Bonds5

About 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide

2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 86283097) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID86283097
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1C
InChIInChI=1S/C18H27N3O4/c1-11-9-13(16(19)24)17(20-12(11)2)21-5-3-18(4-6-21)14(23)10-15(18)25-8-7-22/h9,14-15,22-23H,3-8,10H2,1-2H3,(H2,19,24)/t14-,15+/m1/s1
InChIKeyNRODABQVDOQDRQ-CABCVRRESA-N
XLogP0.53
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72932755
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
4-[[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methyl]-N-methylbenzamide
CID 133122927
[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 133134947
(1R,3S)-3-ethoxy-7-(2,5,6-trimethylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97321248
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 70777964
2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
7-(4-cyclopentylpyrimidin-2-yl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 156607297
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide (CID 86283097) is 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1C.
What is the InChIKey of 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is NRODABQVDOQDRQ-CABCVRRESA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11-9-13(16(19)24)17(20-12(11)2)21-5-3-18(4-6-21)14(23)10-15(18)25-8-7-22/h9,14-15,22-23H,3-8,10H2,1-2H3,(H2,19,24)/t14-,15+/m1/s1.
What are the key properties of 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide?
2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 86283097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).