N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide

C15H13N3O2 — CID 104671798

IUPACN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccnnc1
InChIInChI=1S/C15H13N3O2/c19-10-4-3-6-12-5-1-2-7-14(12)18-15(20)13-8-9-16-17-11-13/h1-2,5,7-9,11,19H,4,10H2,(H,18,20)
InChIKeyHTKYTRZYUHQZJL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.46
Rot. Bonds3

About N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide

N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide (PubChem CID 104671798) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
PubChem CID104671798
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccnnc1
InChIInChI=1S/C15H13N3O2/c19-10-4-3-6-12-5-1-2-7-14(12)18-15(20)13-8-9-16-17-11-13/h1-2,5,7-9,11,19H,4,10H2,(H,18,20)
InChIKeyHTKYTRZYUHQZJL-UHFFFAOYSA-N
XLogP1.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
CID 54923100
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804
N-[2-(4-hydroxybut-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 60803179
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide (CID 104671798) is N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide is O=C(Nc1ccccc1C#CCCO)c1ccnnc1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is HTKYTRZYUHQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-10-4-3-6-12-5-1-2-7-14(12)18-15(20)13-8-9-16-17-11-13/h1-2,5,7-9,11,19H,4,10H2,(H,18,20).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide?
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).