4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

C17H18N2O4 — CID 172619009

IUPAC4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1
InChIInChI=1S/C17H18N2O4/c1-2-3-4-11-5-8-14(18-10-11)16(21)19-12-6-7-13(17(22)23)15(20)9-12/h5-10,20H,2-4H2,1H3,(H,19,21)(H,22,23)
InChIKeyRPTSXPVYXZGFQY-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.08
Rot. Bonds6

About 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 172619009) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID172619009
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1
InChIInChI=1S/C17H18N2O4/c1-2-3-4-11-5-8-14(18-10-11)16(21)19-12-6-7-13(17(22)23)15(20)9-12/h5-10,20H,2-4H2,1H3,(H,19,21)(H,22,23)
InChIKeyRPTSXPVYXZGFQY-UHFFFAOYSA-N
XLogP3.08
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
CID 10068146
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
4-butyl-2-hydroxybenzoic acid
CID 14895249
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
CID 172619079
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878

Frequently Asked Questions

What is the IUPAC name of 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 172619009) is 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is CCCCc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)nc1.
What is the InChIKey of 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is RPTSXPVYXZGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-3-4-11-5-8-14(18-10-11)16(21)19-12-6-7-13(17(22)23)15(20)9-12/h5-10,20H,2-4H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 314.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 172619009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).