N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide

C16H14FN3O — CID 104786328

IUPACN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C16H14FN3O/c1-11-4-5-12(3-2-6-18)15(7-11)20-16(21)13-8-14(17)10-19-9-13/h4-5,7-10H,6,18H2,1H3,(H,20,21)
InChIKeyWIZUNHLCDFBWTF-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.09
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104786328) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
PubChem CID104786328
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2cncc(F)c2)c1
InChIInChI=1S/C16H14FN3O/c1-11-4-5-12(3-2-6-18)15(7-11)20-16(21)13-8-14(17)10-19-9-13/h4-5,7-10H,6,18H2,1H3,(H,20,21)
InChIKeyWIZUNHLCDFBWTF-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-hydroxypyridine-3-carboxamide
CID 63850539
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 82766354
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1,2-oxazole-3-carboxamide
CID 82766056
2-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)-5-methylbenzamide
CID 107595344
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
2-(3-aminoprop-1-ynyl)-5-methyl-N-(4-methyl-3-pyridinyl)benzamide
CID 81112518
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 104786313
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 82767055
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide
CID 82766055
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
CID 104671857

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide (CID 104786328) is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide is Cc1ccc(C#CCN)c(NC(=O)c2cncc(F)c2)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is WIZUNHLCDFBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-4-5-12(3-2-6-18)15(7-11)20-16(21)13-8-14(17)10-19-9-13/h4-5,7-10H,6,18H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).