6-fluoro-N-hex-5-ynylpyridine-2-carboxamide

C12H13FN2O — CID 103873748

IUPAC6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H13FN2O/c1-2-3-4-5-9-14-12(16)10-7-6-8-11(13)15-10/h1,6-8H,3-5,9H2,(H,14,16)
InChIKeyDOOPTBAXVZEENM-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.75
Rot. Bonds5

About 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide

6-fluoro-N-hex-5-ynylpyridine-2-carboxamide (PubChem CID 103873748) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
PubChem CID103873748
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
SMILESC#CCCCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C12H13FN2O/c1-2-3-4-5-9-14-12(16)10-7-6-8-11(13)15-10/h1,6-8H,3-5,9H2,(H,14,16)
InChIKeyDOOPTBAXVZEENM-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide (CID 103873748) is 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide is C#CCCCCNC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide?
The InChIKey is DOOPTBAXVZEENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-3-4-5-9-14-12(16)10-7-6-8-11(13)15-10/h1,6-8H,3-5,9H2,(H,14,16).
What are the key properties of 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide?
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-hex-5-ynylpyridine-2-carboxamide is sourced from PubChem (CID 103873748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).