N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C16H24N4O3 — CID 154754184

IUPACN-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)CCCO1
InChIInChI=1S/C16H24N4O3/c1-11-13(5-4-8-23-11)16(22)17-14-6-2-3-7-15(14)20-9-12(10-21)18-19-20/h9,14-15,21H,2-8,10H2,1H3,(H,17,22)/t14-,15+/m0/s1
InChIKeyFEFORKBSFIBZFV-LSDHHAIUSA-N
MW320.39 g/mol
LogP1.45
Rot. Bonds4

About N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 154754184) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID154754184
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)CCCO1
InChIInChI=1S/C16H24N4O3/c1-11-13(5-4-8-23-11)16(22)17-14-6-2-3-7-15(14)20-9-12(10-21)18-19-20/h9,14-15,21H,2-8,10H2,1H3,(H,17,22)/t14-,15+/m0/s1
InChIKeyFEFORKBSFIBZFV-LSDHHAIUSA-N
XLogP1.45
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 154754184) is N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)CCCO1.
What is the InChIKey of N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is FEFORKBSFIBZFV-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-13(5-4-8-23-11)16(22)17-14-6-2-3-7-15(14)20-9-12(10-21)18-19-20/h9,14-15,21H,2-8,10H2,1H3,(H,17,22)/t14-,15+/m0/s1.
What are the key properties of N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[4-(hydroxymethyl)triazol-1-yl]cyclohexyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 154754184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).