N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide

C17H18Cl2N2O2 — CID 10665742

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide
SMILESCCCCCc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccn1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-4-5-12-8-11(6-7-20-12)17(23)21-13-9-14(18)16(22)15(19)10-13/h6-10,22H,2-5H2,1H3,(H,21,23)
InChIKeyRSKRFGXNGCJBEX-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.08
Rot. Bonds6

About N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide (PubChem CID 10665742) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide
PubChem CID10665742
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide
SMILESCCCCCc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccn1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-4-5-12-8-11(6-7-20-12)17(23)21-13-9-14(18)16(22)15(19)10-13/h6-10,22H,2-5H2,1H3,(H,21,23)
InChIKeyRSKRFGXNGCJBEX-UHFFFAOYSA-N
XLogP5.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide (CID 10665742) is N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide is CCCCCc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccn1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide?
The InChIKey is RSKRFGXNGCJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-3-4-5-12-8-11(6-7-20-12)17(23)21-13-9-14(18)16(22)15(19)10-13/h6-10,22H,2-5H2,1H3,(H,21,23).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-pentylpyridine-4-carboxamide is sourced from PubChem (CID 10665742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).