5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C17H24N4O3 — CID 131658447

IUPAC5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)n1
InChIInChI=1S/C17H24N4O3/c1-12-4-3-5-14(19-12)10-21-13(2)17(24-11-15(21)22)6-8-20(9-7-17)16(18)23/h3-5,13H,6-11H2,1-2H3,(H2,18,23)
InChIKeyXOBPOYWCPXFGEO-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.05
Rot. Bonds2

About 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 131658447) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID131658447
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)n1
InChIInChI=1S/C17H24N4O3/c1-12-4-3-5-14(19-12)10-21-13(2)17(24-11-15(21)22)6-8-20(9-7-17)16(18)23/h3-5,13H,6-11H2,1-2H3,(H2,18,23)
InChIKeyXOBPOYWCPXFGEO-UHFFFAOYSA-N
XLogP1.05
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide with MolForge

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Related Compounds

5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131638072
2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 155880152
1-[(6-methyl-2-pyridinyl)methyl]-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742482
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658398
4-(cyclopropylmethyl)-5-methyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131640449
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566
4-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155829039
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 121495253
formic acid;8-(furan-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155836120
(3aR,7aR)-1-ethylsulfonyl-4-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379387

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 131658447) is 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is Cc1cccc(CN2C(=O)COC3(CCN(C(N)=O)CC3)C2C)n1.
What is the InChIKey of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is XOBPOYWCPXFGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-4-3-5-14(19-12)10-21-13(2)17(24-11-15(21)22)6-8-20(9-7-17)16(18)23/h3-5,13H,6-11H2,1-2H3,(H2,18,23).
What are the key properties of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 131658447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).