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

C16H21N5O2 — CID 126788056

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)Nc2ncn(C3CCCCC3)n2)c1=O
InChIInChI=1S/C16H21N5O2/c1-12-6-5-9-20(15(12)23)10-14(22)18-16-17-11-21(19-16)13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,18,19,22)
InChIKeyORFCVTGYRUBSFC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.89
Rot. Bonds4

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

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 126788056) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID126788056
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccn(CC(=O)Nc2ncn(C3CCCCC3)n2)c1=O
InChIInChI=1S/C16H21N5O2/c1-12-6-5-9-20(15(12)23)10-14(22)18-16-17-11-21(19-16)13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,18,19,22)
InChIKeyORFCVTGYRUBSFC-UHFFFAOYSA-N
XLogP1.89
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 126788056) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is Cc1cccn(CC(=O)Nc2ncn(C3CCCCC3)n2)c1=O.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is ORFCVTGYRUBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-6-5-9-20(15(12)23)10-14(22)18-16-17-11-21(19-16)13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,18,19,22).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126788056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).