N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C18H19N5O2 — CID 29344600

IUPACN-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCC[C@@H](C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-3-12(2)13-7-8-16(24)15(9-13)22-18(25)14-5-4-6-17(21-14)23-10-19-20-11-23/h4-12,24H,3H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyXWJWQEHKOFTSER-GFCCVEGCSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds5

About N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 29344600) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID29344600
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCC[C@@H](C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)n2)c1
InChIInChI=1S/C18H19N5O2/c1-3-12(2)13-7-8-16(24)15(9-13)22-18(25)14-5-4-6-17(21-14)23-10-19-20-11-23/h4-12,24H,3H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyXWJWQEHKOFTSER-GFCCVEGCSA-N
XLogP3.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701480
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
3-bromo-N-(2-hydroxy-5-propan-2-ylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587053
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
N-[[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1344927
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]acetamide
CID 17099998
N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134707369
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1227248
N-(5-butan-2-yl-2-hydroxyphenyl)-2-chloro-4-nitrobenzamide
CID 5067324
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 2904906

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 29344600) is N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is CC[C@@H](C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)n2)c1.
What is the InChIKey of N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XWJWQEHKOFTSER-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-12(2)13-7-8-16(24)15(9-13)22-18(25)14-5-4-6-17(21-14)23-10-19-20-11-23/h4-12,24H,3H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 29344600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).