N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide

C14H11FN4O — CID 104786313

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESNCC#Cc1cccc(NC(=O)c2cncc(F)c2)n1
InChIInChI=1S/C14H11FN4O/c15-11-7-10(8-17-9-11)14(20)19-13-5-1-3-12(18-13)4-2-6-16/h1,3,5,7-9H,6,16H2,(H,18,19,20)
InChIKeyAPURZLLDPPNRDJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.18
Rot. Bonds2

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104786313) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
PubChem CID104786313
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESNCC#Cc1cccc(NC(=O)c2cncc(F)c2)n1
InChIInChI=1S/C14H11FN4O/c15-11-7-10(8-17-9-11)14(20)19-13-5-1-3-12(18-13)4-2-6-16/h1,3,5,7-9H,6,16H2,(H,18,19,20)
InChIKeyAPURZLLDPPNRDJ-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.18
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-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
CID 115299483
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylimidazole-4-carboxamide
CID 103511822
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide (CID 104786313) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide is NCC#Cc1cccc(NC(=O)c2cncc(F)c2)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is APURZLLDPPNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-7-10(8-17-9-11)14(20)19-13-5-1-3-12(18-13)4-2-6-16/h1,3,5,7-9H,6,16H2,(H,18,19,20).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).