N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide

C15H14N4O — CID 104671857

IUPACN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnnc2)c(C#CCN)c1
InChIInChI=1S/C15H14N4O/c1-11-4-5-14(12(9-11)3-2-7-16)19-15(20)13-6-8-17-18-10-13/h4-6,8-10H,7,16H2,1H3,(H,19,20)
InChIKeyKDQRKJDZRKFRRU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide (PubChem CID 104671857) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
PubChem CID104671857
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnnc2)c(C#CCN)c1
InChIInChI=1S/C15H14N4O/c1-11-4-5-14(12(9-11)3-2-7-16)19-15(20)13-6-8-17-18-10-13/h4-6,8-10H,7,16H2,1H3,(H,19,20)
InChIKeyKDQRKJDZRKFRRU-UHFFFAOYSA-N
XLogP1.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
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

N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-chlorobenzamide
CID 60812705
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methylimidazole-4-carboxamide
CID 103511818
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60803080
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2,2-dimethylbutanamide
CID 62677312
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
CID 60813037
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide (CID 104671857) is N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2ccnnc2)c(C#CCN)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide?
The InChIKey is KDQRKJDZRKFRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-4-5-14(12(9-11)3-2-7-16)19-15(20)13-6-8-17-18-10-13/h4-6,8-10H,7,16H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).