N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide

C17H22N4O4 — CID 14371868

IUPACN-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide
SMILESCON1C(=O)CC2(CCN(CCNC(=O)c3cccnc3)CC2)C1=O
InChIInChI=1S/C17H22N4O4/c1-25-21-14(22)11-17(16(21)24)4-8-20(9-5-17)10-7-19-15(23)13-3-2-6-18-12-13/h2-3,6,12H,4-5,7-11H2,1H3,(H,19,23)
InChIKeyUAGTYHYKCQAHML-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.21
Rot. Bonds5

About N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide

N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide (PubChem CID 14371868) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide
PubChem CID14371868
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide
SMILESCON1C(=O)CC2(CCN(CCNC(=O)c3cccnc3)CC2)C1=O
InChIInChI=1S/C17H22N4O4/c1-25-21-14(22)11-17(16(21)24)4-8-20(9-5-17)10-7-19-15(23)13-3-2-6-18-12-13/h2-3,6,12H,4-5,7-11H2,1H3,(H,19,23)
InChIKeyUAGTYHYKCQAHML-UHFFFAOYSA-N
XLogP0.21
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 118913487
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
N-[2-[[1-(methoxymethyl)cyclopropyl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 122556136
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
[6-oxo-1-[2-(pyridine-3-carbonylamino)ethyl]-3-pyridinyl] 2-methylpropanoate
CID 174336892
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide (CID 14371868) is N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide is CON1C(=O)CC2(CCN(CCNC(=O)c3cccnc3)CC2)C1=O.
What is the InChIKey of N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is UAGTYHYKCQAHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-25-21-14(22)11-17(16(21)24)4-8-20(9-5-17)10-7-19-15(23)13-3-2-6-18-12-13/h2-3,6,12H,4-5,7-11H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide?
N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 14371868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).