N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide

C15H13NO2 — CID 113342440

IUPACN-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
SMILESCC#CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H13NO2/c1-2-3-10-16-15(18)13-9-8-11-6-4-5-7-12(11)14(13)17/h4-9,17H,10H2,1H3,(H,16,18)
InChIKeyJBRDIHXWHAQMNP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.30
Rot. Bonds2

About N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide

N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide (PubChem CID 113342440) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
PubChem CID113342440
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
SMILESCC#CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H13NO2/c1-2-3-10-16-15(18)13-9-8-11-6-4-5-7-12(11)14(13)17/h4-9,17H,10H2,1H3,(H,16,18)
InChIKeyJBRDIHXWHAQMNP-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
N-but-2-ynyl-2-iodobenzamide
CID 115866883
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
CID 107299334

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide (CID 113342440) is N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide is CC#CCNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is JBRDIHXWHAQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-3-10-16-15(18)13-9-8-11-6-4-5-7-12(11)14(13)17/h4-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide?
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 113342440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).