N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

C15H18FN3 — CID 115374969

IUPACN-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c1-3-6-18-14(12-8-11(2)9-17-10-12)15-13(16)5-4-7-19-15/h4-5,7-10,14,18H,3,6H2,1-2H3
InChIKeyRDSIFPYXXHSRKR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.01
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115374969) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115374969
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ncccc1F
InChIInChI=1S/C15H18FN3/c1-3-6-18-14(12-8-11(2)9-17-10-12)15-13(16)5-4-7-19-15/h4-5,7-10,14,18H,3,6H2,1-2H3
InChIKeyRDSIFPYXXHSRKR-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
N-[(4-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107994731
N-[2-(2,6-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105022890
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 105395357
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115374969) is N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is RDSIFPYXXHSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-6-18-14(12-8-11(2)9-17-10-12)15-13(16)5-4-7-19-15/h4-5,7-10,14,18H,3,6H2,1-2H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115374969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).