(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C18H23N7O3 — CID 126427748

IUPAC(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)C2)OC1=O
InChIInChI=1S/C18H23N7O3/c1-24-11-18(28-17(24)27)6-3-9-25(12-18)16(26)20-8-5-14-21-15(23-22-14)13-4-2-7-19-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,20,26)(H,21,22,23)/t18-/m0/s1
InChIKeyNZCCWEWYARHTED-SFHVURJKSA-N
MW385.43 g/mol
LogP1.04
Rot. Bonds4

About (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 126427748) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID126427748
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)C2)OC1=O
InChIInChI=1S/C18H23N7O3/c1-24-11-18(28-17(24)27)6-3-9-25(12-18)16(26)20-8-5-14-21-15(23-22-14)13-4-2-7-19-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,20,26)(H,21,22,23)/t18-/m0/s1
InChIKeyNZCCWEWYARHTED-SFHVURJKSA-N
XLogP1.04
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114
(5R)-2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126427632
2-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 121497154
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 46983881
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 121498352
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 46983110
2-hydroxy-4-methylsulfanyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 77093837
N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 126468371

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 126427748) is (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is CN1C[C@]2(CCCN(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)C2)OC1=O.
What is the InChIKey of (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is NZCCWEWYARHTED-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-24-11-18(28-17(24)27)6-3-9-25(12-18)16(26)20-8-5-14-21-15(23-22-14)13-4-2-7-19-10-13/h2,4,7,10H,3,5-6,8-9,11-12H2,1H3,(H,20,26)(H,21,22,23)/t18-/m0/s1.
What are the key properties of (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 126427748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).