N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine

C14H20FN3 — CID 166713758

IUPACN-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
SMILESCC1C=CC(CNCC2=CN(C)CC(F)=C2)=NC1
InChIInChI=1S/C14H20FN3/c1-11-3-4-14(17-6-11)8-16-7-12-5-13(15)10-18(2)9-12/h3-5,9,11,16H,6-8,10H2,1-2H3
InChIKeyJULLDNXFOVNGCB-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.91
Rot. Bonds4

About N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine

N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine (PubChem CID 166713758) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
PubChem CID166713758
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
SMILESCC1C=CC(CNCC2=CN(C)CC(F)=C2)=NC1
InChIInChI=1S/C14H20FN3/c1-11-3-4-14(17-6-11)8-16-7-12-5-13(15)10-18(2)9-12/h3-5,9,11,16H,6-8,10H2,1-2H3
InChIKeyJULLDNXFOVNGCB-UHFFFAOYSA-N
XLogP1.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The IUPAC name of N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine (CID 166713758) is N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine.
What is the SMILES notation for N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The canonical SMILES for N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine is CC1C=CC(CNCC2=CN(C)CC(F)=C2)=NC1.
What is the InChIKey of N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
The InChIKey is JULLDNXFOVNGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-11-3-4-14(17-6-11)8-16-7-12-5-13(15)10-18(2)9-12/h3-5,9,11,16H,6-8,10H2,1-2H3.
What are the key properties of N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine?
N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine has a molecular weight of 249.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-methyl-2H-pyridin-5-yl)methyl]-1-(3-methyl-2,3-dihydropyridin-6-yl)methanamine is sourced from PubChem (CID 166713758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).