3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride

C10H16Cl2FN3O — CID 120502701

IUPAC3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc(F)cn1.Cl.Cl
InChIInChI=1S/C10H14FN3O.2ClH/c1-6(7(2)12)10(15)14-9-4-3-8(11)5-13-9;;/h3-7H,12H2,1-2H3,(H,13,14,15);2*1H
InChIKeyIXFYBCHDNSZJDP-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride

3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride (PubChem CID 120502701) has the molecular formula C10H16Cl2FN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
PubChem CID120502701
Molecular FormulaC10H16Cl2FN3O
Molecular Weight284.16 g/mol
Exact Mass283.07
IUPAC Name3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)Nc1ccc(F)cn1.Cl.Cl
InChIInChI=1S/C10H14FN3O.2ClH/c1-6(7(2)12)10(15)14-9-4-3-8(11)5-13-9;;/h3-7H,12H2,1-2H3,(H,13,14,15);2*1H
InChIKeyIXFYBCHDNSZJDP-UHFFFAOYSA-N
XLogP1.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride (CID 120502701) is 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)Nc1ccc(F)cn1.Cl.Cl.
What is the InChIKey of 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride?
The InChIKey is IXFYBCHDNSZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.2ClH/c1-6(7(2)12)10(15)14-9-4-3-8(11)5-13-9;;/h3-7H,12H2,1-2H3,(H,13,14,15);2*1H.
What are the key properties of 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride?
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride has a molecular weight of 284.16 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120502701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).