2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide

C13H20FN3O — CID 105385875

IUPAC2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H20FN3O/c1-3-4-5-6-9(2)17-13(18)10-7-8-16-12(15)11(10)14/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyMPYMQENLQPTHPE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.50
Rot. Bonds6

About 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide

2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide (PubChem CID 105385875) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
PubChem CID105385875
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H20FN3O/c1-3-4-5-6-9(2)17-13(18)10-7-8-16-12(15)11(10)14/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyMPYMQENLQPTHPE-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-amino-3-fluoro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 105387484
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide (CID 105385875) is 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide is CCCCCC(C)NC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide?
The InChIKey is MPYMQENLQPTHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-4-5-6-9(2)17-13(18)10-7-8-16-12(15)11(10)14/h7-9H,3-6H2,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide?
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105385875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).