N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride

C17H27Cl2N3O4 — CID 154918558

IUPACN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C17H25N3O4.2ClH/c1-11-3-4-12(13(21)19-11)14(22)20-16(2)7-10-24-17(15(16)23)5-8-18-9-6-17;;/h3-4,15,18,23H,5-10H2,1-2H3,(H,19,21)(H,20,22);2*1H/t15-,16+;;/m0../s1
InChIKeyRXMWRKYEKFBUNI-SLAHTUFOSA-N
MW408.33 g/mol
LogP0.92
Rot. Bonds2

About N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride (PubChem CID 154918558) has the molecular formula C17H27Cl2N3O4 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
PubChem CID154918558
Molecular FormulaC17H27Cl2N3O4
Molecular Weight408.33 g/mol
Exact Mass407.14
IUPAC NameN-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C17H25N3O4.2ClH/c1-11-3-4-12(13(21)19-11)14(22)20-16(2)7-10-24-17(15(16)23)5-8-18-9-6-17;;/h3-4,15,18,23H,5-10H2,1-2H3,(H,19,21)(H,20,22);2*1H/t15-,16+;;/m0../s1
InChIKeyRXMWRKYEKFBUNI-SLAHTUFOSA-N
XLogP0.92
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-oxo-1H-pyridine-3-carboxamide;dihydrochloride
CID 154915717
5-chloro-2-fluoro-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
CID 135113034
2-hydroxy-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 154915598
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-(2-phenylethoxy)benzamide;hydrochloride
CID 154915682
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(methanesulfonamido)propanamide;hydrochloride
CID 154915504
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(2-methylpyrazol-3-yl)propanamide
CID 135117034
1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 115910151
N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119568364
2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
CID 167754640
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
N-[(4R,5S)-9-(cyclobutanecarbonyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2,3-dimethylbenzamide
CID 135093421
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride (CID 154918558) is N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride is Cc1ccc(C(=O)N[C@]2(C)CCOC3(CCNCC3)[C@H]2O)c(=O)[nH]1.Cl.Cl.
What is the InChIKey of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
The InChIKey is RXMWRKYEKFBUNI-SLAHTUFOSA-N. The full InChI is InChI=1S/C17H25N3O4.2ClH/c1-11-3-4-12(13(21)19-11)14(22)20-16(2)7-10-24-17(15(16)23)5-8-18-9-6-17;;/h3-4,15,18,23H,5-10H2,1-2H3,(H,19,21)(H,20,22);2*1H/t15-,16+;;/m0../s1.
What are the key properties of N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride?
N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride has a molecular weight of 408.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154918558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).