2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide

C16H17ClN2O2 — CID 10494761

IUPAC2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCCCCc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-4-13-9-11(7-8-18-13)16(21)19-14-10-12(17)5-6-15(14)20/h5-10,20H,2-4H2,1H3,(H,19,21)
InChIKeyXGMIIZNKXSWAJM-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.04
Rot. Bonds5

About 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide

2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide (PubChem CID 10494761) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
PubChem CID10494761
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCCCCc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-4-13-9-11(7-8-18-13)16(21)19-14-10-12(17)5-6-15(14)20/h5-10,20H,2-4H2,1H3,(H,19,21)
InChIKeyXGMIIZNKXSWAJM-UHFFFAOYSA-N
XLogP4.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
2-tetradecylpyridine-4-carbonyl chloride
CID 154124340
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide (CID 10494761) is 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide is CCCCc1cc(C(=O)Nc2cc(Cl)ccc2O)ccn1.
What is the InChIKey of 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The InChIKey is XGMIIZNKXSWAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-3-4-13-9-11(7-8-18-13)16(21)19-14-10-12(17)5-6-15(14)20/h5-10,20H,2-4H2,1H3,(H,19,21).
What are the key properties of 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 10494761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).