N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide

C15H13FN4O — CID 65436071

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C#CCN)c(F)c2)cn1
InChIInChI=1S/C15H13FN4O/c1-10-8-19-14(9-18-10)15(21)20-12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-9H,6,17H2,1H3,(H,20,21)
InChIKeyNMVHTOLPRXAPLJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.49
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 65436071) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
PubChem CID65436071
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C#CCN)c(F)c2)cn1
InChIInChI=1S/C15H13FN4O/c1-10-8-19-14(9-18-10)15(21)20-12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-9H,6,17H2,1H3,(H,20,21)
InChIKeyNMVHTOLPRXAPLJ-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 65433519
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65437841
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 55050505

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide (CID 65436071) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C#CCN)c(F)c2)cn1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is NMVHTOLPRXAPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10-8-19-14(9-18-10)15(21)20-12-5-4-11(3-2-6-17)13(16)7-12/h4-5,7-9H,6,17H2,1H3,(H,20,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 65436071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).