N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide

C16H21N3O3 — CID 72850449

IUPACN-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CC2(CCOC2)CCC1=O)c1cccnc1
InChIInChI=1S/C16H21N3O3/c20-14-3-4-16(5-9-22-12-16)11-19(14)8-7-18-15(21)13-2-1-6-17-10-13/h1-2,6,10H,3-5,7-9,11-12H2,(H,18,21)
InChIKeyZCWVLALYGVFUBU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.84
Rot. Bonds4

About N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide

N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide (PubChem CID 72850449) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
PubChem CID72850449
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CC2(CCOC2)CCC1=O)c1cccnc1
InChIInChI=1S/C16H21N3O3/c20-14-3-4-16(5-9-22-12-16)11-19(14)8-7-18-15(21)13-2-1-6-17-10-13/h1-2,6,10H,3-5,7-9,11-12H2,(H,18,21)
InChIKeyZCWVLALYGVFUBU-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
9-[2-(2-ethylimidazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72862931
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[2-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pyridine-3-carboxamide
CID 14371868
9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72939057
(5R)-9-[2-(4-benzylpiperazin-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97127415
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 72718815
9-[3-(1H-imidazol-2-yl)propyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 86284805
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872736
2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154925020

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide (CID 72850449) is N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide is O=C(NCCN1CC2(CCOC2)CCC1=O)c1cccnc1.
What is the InChIKey of N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ZCWVLALYGVFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14-3-4-16(5-9-22-12-16)11-19(14)8-7-18-15(21)13-2-1-6-17-10-13/h1-2,6,10H,3-5,7-9,11-12H2,(H,18,21).
What are the key properties of N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide?
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 72850449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).