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

C14H17FN4 — CID 79712306

IUPAC3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NC(c1ccc(F)cn1)c1cnccc1N
InChIInChI=1S/C14H17FN4/c1-9(2)19-14(11-8-17-6-5-12(11)16)13-4-3-10(15)7-18-13/h3-9,14,19H,1-2H3,(H2,16,17)
InChIKeyUKSBXFMOZTUMIK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.29
Rot. Bonds4

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

3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 79712306) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID79712306
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NC(c1ccc(F)cn1)c1cnccc1N
InChIInChI=1S/C14H17FN4/c1-9(2)19-14(11-8-17-6-5-12(11)16)13-4-3-10(15)7-18-13/h3-9,14,19H,1-2H3,(H2,16,17)
InChIKeyUKSBXFMOZTUMIK-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethylamino-(5-fluoro-2-pyridinyl)methyl]pyridin-4-amine
CID 79712859
N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-2-amine
CID 79712979
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methyl]propan-2-amine
CID 114657906
N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 79713275
N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine
CID 114657907
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79712685
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
3-[hydrazinyl-(3-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 105209198
1-(5-fluoro-2-pyridinyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 103936857
1-(5-fluoro-2-pyridinyl)-N-propan-2-ylbut-3-yn-1-amine
CID 79713467
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine (CID 79712306) is 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NC(c1ccc(F)cn1)c1cnccc1N.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is UKSBXFMOZTUMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-9(2)19-14(11-8-17-6-5-12(11)16)13-4-3-10(15)7-18-13/h3-9,14,19H,1-2H3,(H2,16,17).
What are the key properties of 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine?
3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)-(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 79712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).