3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide

C13H20FN3O — CID 116813224

IUPAC3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C13H20FN3O/c1-9(2)6-10(8-15)7-13(18)17-12-5-3-4-11(14)16-12/h3-5,9-10H,6-8,15H2,1-2H3,(H,16,17,18)
InChIKeyNTQBSRWZBUHGLC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.17
Rot. Bonds6

About 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide

3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide (PubChem CID 116813224) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
PubChem CID116813224
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1cccc(F)n1
InChIInChI=1S/C13H20FN3O/c1-9(2)6-10(8-15)7-13(18)17-12-5-3-4-11(14)16-12/h3-5,9-10H,6-8,15H2,1-2H3,(H,16,17,18)
InChIKeyNTQBSRWZBUHGLC-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
(3S)-3-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-5-methylhexanamide
CID 81496704
3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
CID 107594988
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide (CID 116813224) is 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide is CC(C)CC(CN)CC(=O)Nc1cccc(F)n1.
What is the InChIKey of 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide?
The InChIKey is NTQBSRWZBUHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)6-10(8-15)7-13(18)17-12-5-3-4-11(14)16-12/h3-5,9-10H,6-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide?
3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide has a molecular weight of 253.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide is sourced from PubChem (CID 116813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).