(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H30N4O2 — CID 125168724

IUPAC(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCN(CCC1=CCCCC1)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C19H30N4O2/c1-3-12-22(13-11-15-7-5-4-6-8-15)18(24)16-9-10-17-20-21(2)19(25)23(17)14-16/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1
InChIKeyDCCDCXXOYODFGP-MRXNPFEDSA-N
MW346.48 g/mol
LogP2.27
Rot. Bonds6

About (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 125168724) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID125168724
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCCN(CCC1=CCCCC1)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C19H30N4O2/c1-3-12-22(13-11-15-7-5-4-6-8-15)18(24)16-9-10-17-20-21(2)19(25)23(17)14-16/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1
InChIKeyDCCDCXXOYODFGP-MRXNPFEDSA-N
XLogP2.27
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 82323978
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
(6S)-N-(2-methoxyethyl)-2-methyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126423085
3-[2-(cyclohexen-1-yl)ethyl-propylamino]-2-methylpropanoic acid
CID 82328145
3-[2-(cyclohexen-1-yl)ethyl-pentanoylamino]propanoic acid
CID 82323533
N-[2-(cyclohexen-1-yl)ethyl]-N-ethyl-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91843807
N-[2-(cyclohexen-1-yl)ethyl]-N-[(2-formyl-1-methyl-5-oxo-4-propyl-1,2,4-triazinan-3-yl)methyl]acetamide
CID 142956131
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113065929
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 125168724) is (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCCN(CCC1=CCCCC1)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1.
What is the InChIKey of (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is DCCDCXXOYODFGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-12-22(13-11-15-7-5-4-6-8-15)18(24)16-9-10-17-20-21(2)19(25)23(17)14-16/h7,16H,3-6,8-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-oxo-N-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 125168724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).