N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide

C16H23N3O2 — CID 176515523

IUPACN-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCOC2(CCNCC2)C1)c1ccncc1
InChIInChI=1S/C16H23N3O2/c20-15(14-1-6-17-7-2-14)19-12-13-3-10-21-16(11-13)4-8-18-9-5-16/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,20)
InChIKeyALKUOAYNWSPKND-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.36
Rot. Bonds3

About N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide

N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 176515523) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
PubChem CID176515523
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCOC2(CCNCC2)C1)c1ccncc1
InChIInChI=1S/C16H23N3O2/c20-15(14-1-6-17-7-2-14)19-12-13-3-10-21-16(11-13)4-8-18-9-5-16/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,20)
InChIKeyALKUOAYNWSPKND-UHFFFAOYSA-N
XLogP1.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
CID 131655434
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 128594426
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 156584920
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897

Frequently Asked Questions

What is the IUPAC name of N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide (CID 176515523) is N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCOC2(CCNCC2)C1)c1ccncc1.
What is the InChIKey of N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ALKUOAYNWSPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(14-1-6-17-7-2-14)19-12-13-3-10-21-16(11-13)4-8-18-9-5-16/h1-2,6-7,13,18H,3-5,8-12H2,(H,19,20).
What are the key properties of N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide?
N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 176515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).