N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine

C15H18FN3 — CID 104736677

IUPACN-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c1-2-7-18-14(10-12-5-3-8-17-11-12)15-13(16)6-4-9-19-15/h3-6,8-9,11,14,18H,2,7,10H2,1H3
InChIKeyDMUMYHRDZWMZQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.90
Rot. Bonds6

About N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 104736677) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID104736677
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c1-2-7-18-14(10-12-5-3-8-17-11-12)15-13(16)6-4-9-19-15/h3-6,8-9,11,14,18H,2,7,10H2,1H3
InChIKeyDMUMYHRDZWMZQP-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 104736677) is N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1ncccc1F.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is DMUMYHRDZWMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-7-18-14(10-12-5-3-8-17-11-12)15-13(16)6-4-9-19-15/h3-6,8-9,11,14,18H,2,7,10H2,1H3.
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 104736677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).