5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide

C23H28Cl2N2O3 — CID 21109591

IUPAC5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
SMILESCCCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-2-3-6-11-30-23-18(17-10-9-16(24)13-19(17)25)12-15(14-26-23)22(29)27-20-7-4-5-8-21(20)28/h9-10,12-14,20-21,28H,2-8,11H2,1H3,(H,27,29)
InChIKeyKIFCAHLICSJHKR-UHFFFAOYSA-N
MW451.39 g/mol
LogP5.66
Rot. Bonds8

About 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide

5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide (PubChem CID 21109591) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
PubChem CID21109591
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
SMILESCCCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3/c1-2-3-6-11-30-23-18(17-10-9-16(24)13-19(17)25)12-15(14-26-23)22(29)27-20-7-4-5-8-21(20)28/h9-10,12-14,20-21,28H,2-8,11H2,1H3,(H,27,29)
InChIKeyKIFCAHLICSJHKR-UHFFFAOYSA-N
XLogP5.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide (CID 21109591) is 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide is CCCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide?
The InChIKey is KIFCAHLICSJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-2-3-6-11-30-23-18(17-10-9-16(24)13-19(17)25)12-15(14-26-23)22(29)27-20-7-4-5-8-21(20)28/h9-10,12-14,20-21,28H,2-8,11H2,1H3,(H,27,29).
What are the key properties of 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide?
5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide is sourced from PubChem (CID 21109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).