5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine

C16H18N4 — CID 122186932

IUPAC5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C16H18N4/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2,(H2,17,19)/t13-,14-,15-/m1/s1
InChIKeyZFGBGFZJMOWQLH-RBSFLKMASA-N
MW266.35 g/mol
LogP2.33
Rot. Bonds2

About 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine

5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine (PubChem CID 122186932) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
PubChem CID122186932
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C16H18N4/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2,(H2,17,19)/t13-,14-,15-/m1/s1
InChIKeyZFGBGFZJMOWQLH-RBSFLKMASA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine (CID 122186932) is 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine is Nc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1.
What is the InChIKey of 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is ZFGBGFZJMOWQLH-RBSFLKMASA-N. The full InChI is InChI=1S/C16H18N4/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2,(H2,17,19)/t13-,14-,15-/m1/s1.
What are the key properties of 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 122186932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).