3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide

C13H20FN3O — CID 107594988

IUPAC3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-9(2)5-10(7-15)6-13(18)17-12-3-4-16-8-11(12)14/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,17,18)
InChIKeyULCAYFPCDDZSBD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.17
Rot. Bonds6

About 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide

3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide (PubChem CID 107594988) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
PubChem CID107594988
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
SMILESCC(C)CC(CN)CC(=O)Nc1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-9(2)5-10(7-15)6-13(18)17-12-3-4-16-8-11(12)14/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,17,18)
InChIKeyULCAYFPCDDZSBD-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

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Related Compounds

3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
CID 116813224
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
(3S)-3-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)-5-methylhexanamide
CID 81496704
(3S)-3-(aminomethyl)-N-(2-cyano-4-fluorophenyl)-5-methylhexanamide
CID 82015909
N-(3-fluoro-4-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103946349
3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
CID 107595138
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 107595018
N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
CID 122132753
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide (CID 107594988) is 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide is CC(C)CC(CN)CC(=O)Nc1ccncc1F.
What is the InChIKey of 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide?
The InChIKey is ULCAYFPCDDZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)5-10(7-15)6-13(18)17-12-3-4-16-8-11(12)14/h3-4,8-10H,5-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide?
3-(aminomethyl)-N-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)-5-methylhexanamide is sourced from PubChem (CID 107594988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).