N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide

C16H21N5O3 — CID 99822232

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(O)cc(=O)n1CC(=O)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C16H21N5O3/c1-11-7-13(22)8-15(24)20(11)9-14(23)18-16-17-10-21(19-16)12-5-3-2-4-6-12/h7-8,10,12,22H,2-6,9H2,1H3,(H,18,19,23)
InChIKeyLTMFTELJRSGKFQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.60
Rot. Bonds4

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide (PubChem CID 99822232) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide
PubChem CID99822232
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide
SMILESCc1cc(O)cc(=O)n1CC(=O)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C16H21N5O3/c1-11-7-13(22)8-15(24)20(11)9-14(23)18-16-17-10-21(19-16)12-5-3-2-4-6-12/h7-8,10,12,22H,2-6,9H2,1H3,(H,18,19,23)
InChIKeyLTMFTELJRSGKFQ-UHFFFAOYSA-N
XLogP1.60
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide (CID 99822232) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide is Cc1cc(O)cc(=O)n1CC(=O)Nc1ncn(C2CCCCC2)n1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide?
The InChIKey is LTMFTELJRSGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-7-13(22)8-15(24)20(11)9-14(23)18-16-17-10-21(19-16)12-5-3-2-4-6-12/h7-8,10,12,22H,2-6,9H2,1H3,(H,18,19,23).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 99822232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).