(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C14H18N4O2 — CID 97490819

IUPAC(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NO[C@]2(CCCNC2)C1
InChIInChI=1S/C14H18N4O2/c19-13(17-9-11-3-1-5-15-8-11)12-7-14(20-18-12)4-2-6-16-10-14/h1,3,5,8,16H,2,4,6-7,9-10H2,(H,17,19)/t14-/m1/s1
InChIKeyUOGCJAMWROPVPN-CQSZACIVSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds3

About (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 97490819) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID97490819
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCc1cccnc1)C1=NO[C@]2(CCCNC2)C1
InChIInChI=1S/C14H18N4O2/c19-13(17-9-11-3-1-5-15-8-11)12-7-14(20-18-12)4-2-6-16-10-14/h1,3,5,8,16H,2,4,6-7,9-10H2,(H,17,19)/t14-/m1/s1
InChIKeyUOGCJAMWROPVPN-CQSZACIVSA-N
XLogP0.60
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-N-benzyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490871
9-[2-(4-methylphenyl)acetyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131651426
(5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396199
(5S)-9-N-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490840
(5R)-7-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491554
(5R)-7-(2-methylpropanoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491560
9-(4-ethylbenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075186
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
CID 67393220
7-cyclopropylsulfonyl-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 118739752
7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131651861
9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155870786
(5S)-7-[(1R,2R)-2-methylcyclopropanecarbonyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124522018

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 97490819) is (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCc1cccnc1)C1=NO[C@]2(CCCNC2)C1.
What is the InChIKey of (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is UOGCJAMWROPVPN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13(17-9-11-3-1-5-15-8-11)12-7-14(20-18-12)4-2-6-16-10-14/h1,3,5,8,16H,2,4,6-7,9-10H2,(H,17,19)/t14-/m1/s1.
What are the key properties of (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 97490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).