(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H28N4O3 — CID 125156644

IUPAC(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2n(c1=O)C[C@@H](C(=O)NCCCOC1CCCCC1)CC2
InChIInChI=1S/C17H28N4O3/c1-20-17(23)21-12-13(8-9-15(21)19-20)16(22)18-10-5-11-24-14-6-3-2-4-7-14/h13-14H,2-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyPOXUFSJDOPYSDH-ZDUSSCGKSA-N
MW336.44 g/mol
LogP1.00
Rot. Bonds6

About (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 125156644) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID125156644
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2n(c1=O)C[C@@H](C(=O)NCCCOC1CCCCC1)CC2
InChIInChI=1S/C17H28N4O3/c1-20-17(23)21-12-13(8-9-15(21)19-20)16(22)18-10-5-11-24-14-6-3-2-4-7-14/h13-14H,2-12H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyPOXUFSJDOPYSDH-ZDUSSCGKSA-N
XLogP1.00
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72860258
2-Methyl-6-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56873416
3-[(2R)-4-methylpentan-2-yl]oxy-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 97050993
3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 97050994
(3R)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191605
(3S)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97191606
3-(4-methylpentan-2-yloxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 102559395
N-[3-(cyclohexyloxy)propyl]-2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 118766023
(6R)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 125156643
N-(trans-4-methoxycyclohexyl)-2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 163307511

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 125156644) is (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cn1nc2n(c1=O)C[C@@H](C(=O)NCCCOC1CCCCC1)CC2.
What is the InChIKey of (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is POXUFSJDOPYSDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20-17(23)21-12-13(8-9-15(21)19-20)16(22)18-10-5-11-24-14-6-3-2-4-7-14/h13-14H,2-12H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-cyclohexyloxypropyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 125156644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).