N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H28N4O3 — CID 46079230

IUPACN-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC(=O)N1CCc2[nH]nc(C(=O)NCC3CCCCC3)c2C1
InChIInChI=1S/C18H28N4O3/c1-2-25-12-16(23)22-9-8-15-14(11-22)17(21-20-15)18(24)19-10-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyVNHSTRSTHJUVIU-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.64
Rot. Bonds6

About N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46079230) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46079230
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC(=O)N1CCc2[nH]nc(C(=O)NCC3CCCCC3)c2C1
InChIInChI=1S/C18H28N4O3/c1-2-25-12-16(23)22-9-8-15-14(11-22)17(21-20-15)18(24)19-10-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyVNHSTRSTHJUVIU-UHFFFAOYSA-N
XLogP1.64
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46079230) is N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC(=O)N1CCc2[nH]nc(C(=O)NCC3CCCCC3)c2C1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VNHSTRSTHJUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-12-16(23)22-9-8-15-14(11-22)17(21-20-15)18(24)19-10-13-6-4-3-5-7-13/h13H,2-12H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(2-ethoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46079230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).