3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine

C13H15FN4 — CID 79712859

IUPAC3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
SMILESCCNC(c1ccc(F)cn1)c1cnccc1N
InChIInChI=1S/C13H15FN4/c1-2-17-13(10-8-16-6-5-11(10)15)12-4-3-9(14)7-18-12/h3-8,13,17H,2H2,1H3,(H2,15,16)
InChIKeyMATRROXKOMVORU-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.90
Rot. Bonds4

About 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine

3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine (PubChem CID 79712859) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
PubChem CID79712859
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
SMILESCCNC(c1ccc(F)cn1)c1cnccc1N
InChIInChI=1S/C13H15FN4/c1-2-17-13(10-8-16-6-5-11(10)15)12-4-3-9(14)7-18-12/h3-8,13,17H,2H2,1H3,(H2,15,16)
InChIKeyMATRROXKOMVORU-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine
CID 79712306
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722028
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
CID 114887250
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
3-[2-ethoxy-1-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 116726937
3-[ethylamino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143213

Frequently Asked Questions

What is the IUPAC name of 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine (CID 79712859) is 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine is CCNC(c1ccc(F)cn1)c1cnccc1N.
What is the InChIKey of 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is MATRROXKOMVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-2-17-13(10-8-16-6-5-11(10)15)12-4-3-9(14)7-18-12/h3-8,13,17H,2H2,1H3,(H2,15,16).
What are the key properties of 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine?
3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine has a molecular weight of 246.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 79712859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).