2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C17H19FN4 — CID 175649291

IUPAC2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1ccncc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C17H19FN4/c1-12-4-6-19-8-13(12)9-21-10-15-7-14(21)11-22(15)17-16(18)3-2-5-20-17/h2-6,8,14-15H,7,9-11H2,1H3
InChIKeyNVIBNCLGGXMKKH-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 175649291) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID175649291
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCc1ccncc1CN1CC2CC1CN2c1ncccc1F
InChIInChI=1S/C17H19FN4/c1-12-4-6-19-8-13(12)9-21-10-15-7-14(21)11-22(15)17-16(18)3-2-5-20-17/h2-6,8,14-15H,7,9-11H2,1H3
InChIKeyNVIBNCLGGXMKKH-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 175649291) is 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Cc1ccncc1CN1CC2CC1CN2c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is NVIBNCLGGXMKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-12-4-6-19-8-13(12)9-21-10-15-7-14(21)11-22(15)17-16(18)3-2-5-20-17/h2-6,8,14-15H,7,9-11H2,1H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 298.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-[(4-methyl-3-pyridinyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 175649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).