2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride

C18H21ClN2O4 — CID 172618946

IUPAC2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1.Cl
InChIInChI=1S/C18H20N2O4.ClH/c1-2-3-4-5-12-6-9-15(19-11-12)17(22)20-13-7-8-14(18(23)24)16(21)10-13;/h6-11,21H,2-5H2,1H3,(H,20,22)(H,23,24);1H
InChIKeyKZOFMPQGLGCVGJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.89
Rot. Bonds7

About 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride

2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride (PubChem CID 172618946) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
PubChem CID172618946
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1.Cl
InChIInChI=1S/C18H20N2O4.ClH/c1-2-3-4-5-12-6-9-15(19-11-12)17(22)20-13-7-8-14(18(23)24)16(21)10-13;/h6-11,21H,2-5H2,1H3,(H,20,22)(H,23,24);1H
InChIKeyKZOFMPQGLGCVGJ-UHFFFAOYSA-N
XLogP3.89
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 172619009
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
CID 10068146
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878
4-butyl-2-hydroxybenzoic acid
CID 14895249
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride?
The IUPAC name of 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride (CID 172618946) is 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride.
What is the SMILES notation for 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride?
The canonical SMILES for 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride is CCCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1.Cl.
What is the InChIKey of 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride?
The InChIKey is KZOFMPQGLGCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.ClH/c1-2-3-4-5-12-6-9-15(19-11-12)17(22)20-13-7-8-14(18(23)24)16(21)10-13;/h6-11,21H,2-5H2,1H3,(H,20,22)(H,23,24);1H.
What are the key properties of 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride?
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride is sourced from PubChem (CID 172618946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).