N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

C16H22ClN3O3 — CID 128687065

IUPACN-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESCOc1ncc(CNC(=O)N2CCOCC3(CCC3)C2)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-22-14-13(17)7-12(8-18-14)9-19-15(21)20-5-6-23-11-16(10-20)3-2-4-16/h7-8H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyBJDOKFKYXBNREW-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.46
Rot. Bonds3

About N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (PubChem CID 128687065) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
PubChem CID128687065
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESCOc1ncc(CNC(=O)N2CCOCC3(CCC3)C2)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-22-14-13(17)7-12(8-18-14)9-19-15(21)20-5-6-23-11-16(10-20)3-2-4-16/h7-8H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyBJDOKFKYXBNREW-UHFFFAOYSA-N
XLogP2.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide with MolForge

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Related Compounds

(3aS,6aR)-2-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122016256
1-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016251
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 138006458
3-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 122016249
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 71853262
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-5-oxa-8-azaspiro[2.6]nonane-8-carboxamide
CID 128683883
(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 142524382
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The IUPAC name of N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (CID 128687065) is N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The canonical SMILES for N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is COc1ncc(CNC(=O)N2CCOCC3(CCC3)C2)cc1Cl.
What is the InChIKey of N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The InChIKey is BJDOKFKYXBNREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-22-14-13(17)7-12(8-18-14)9-19-15(21)20-5-6-23-11-16(10-20)3-2-4-16/h7-8H,2-6,9-11H2,1H3,(H,19,21).
What are the key properties of N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is sourced from PubChem (CID 128687065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).