2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine

C23H35N5O6 — CID 178043752

IUPAC2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine
SMILESCN(CCCCCCO)C(=O)Cn1cc(NC=O)cn1.COc1cc(OC2CCOC2)ccn1
InChIInChI=1S/C13H22N4O3.C10H13NO3/c1-16(6-4-2-3-5-7-18)13(20)10-17-9-12(8-15-17)14-11-19;1-12-10-6-8(2-4-11-10)14-9-3-5-13-7-9/h8-9,11,18H,2-7,10H2,1H3,(H,14,19);2,4,6,9H,3,5,7H2,1H3
InChIKeyRUNQTGOGWGYDDP-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.72
Rot. Bonds13

About 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine

2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine (PubChem CID 178043752) has the molecular formula C23H35N5O6 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine.

Molecular Properties

Compound Name2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine
PubChem CID178043752
Molecular FormulaC23H35N5O6
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC Name2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine
SMILESCN(CCCCCCO)C(=O)Cn1cc(NC=O)cn1.COc1cc(OC2CCOC2)ccn1
InChIInChI=1S/C13H22N4O3.C10H13NO3/c1-16(6-4-2-3-5-7-18)13(20)10-17-9-12(8-15-17)14-11-19;1-12-10-6-8(2-4-11-10)14-9-3-5-13-7-9/h8-9,11,18H,2-7,10H2,1H3,(H,14,19);2,4,6,9H,3,5,7H2,1H3
InChIKeyRUNQTGOGWGYDDP-UHFFFAOYSA-N
XLogP1.72
TPSA128.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine?
The IUPAC name of 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine (CID 178043752) is 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine.
What is the SMILES notation for 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine?
The canonical SMILES for 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine is CN(CCCCCCO)C(=O)Cn1cc(NC=O)cn1.COc1cc(OC2CCOC2)ccn1.
What is the InChIKey of 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine?
The InChIKey is RUNQTGOGWGYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3.C10H13NO3/c1-16(6-4-2-3-5-7-18)13(20)10-17-9-12(8-15-17)14-11-19;1-12-10-6-8(2-4-11-10)14-9-3-5-13-7-9/h8-9,11,18H,2-7,10H2,1H3,(H,14,19);2,4,6,9H,3,5,7H2,1H3.
What are the key properties of 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine?
2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine has a molecular weight of 477.56 g/mol, XLogP of 1.72, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formamidopyrazol-1-yl)-N-(6-hydroxyhexyl)-N-methylacetamide;2-methoxy-4-(oxolan-3-yloxy)pyridine is sourced from PubChem (CID 178043752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).