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

C16H23N5O3 — CID 125157221

IUPAC(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C16H23N5O3/c1-10-13(11(2)24-19-10)5-4-8-17-15(22)12-6-7-14-18-20(3)16(23)21(14)9-12/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeySYJFAZKRDUAGNV-GFCCVEGCSA-N
MW333.39 g/mol
LogP0.50
Rot. Bonds5

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

(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 125157221) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID125157221
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1
InChIInChI=1S/C16H23N5O3/c1-10-13(11(2)24-19-10)5-4-8-17-15(22)12-6-7-14-18-20(3)16(23)21(14)9-12/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeySYJFAZKRDUAGNV-GFCCVEGCSA-N
XLogP0.50
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-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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Launch Full Analysis

Related Compounds

1-(cyclopropanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
CID 72871515
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97139756
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155880577
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 91834584
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154564469
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324916
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111976854

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 125157221) is (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-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 (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1noc(C)c1CCCNC(=O)[C@@H]1CCc2nn(C)c(=O)n2C1.
What is the InChIKey of (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SYJFAZKRDUAGNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-13(11(2)24-19-10)5-4-8-17-15(22)12-6-7-14-18-20(3)16(23)21(14)9-12/h12H,4-9H2,1-3H3,(H,17,22)/t12-/m1/s1.
What are the key properties of (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 125157221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).