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

C16H18N4 — CID 122186928

IUPAC4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1
InChIInChI=1S/C16H18N4/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19)/t13-,14-,15-/m1/s1
InChIKeyRTCQEPISOSWPPZ-RBSFLKMASA-N
MW266.35 g/mol
LogP2.33
Rot. Bonds2

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

4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine (PubChem CID 122186928) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
PubChem CID122186928
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1
InChIInChI=1S/C16H18N4/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19)/t13-,14-,15-/m1/s1
InChIKeyRTCQEPISOSWPPZ-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 4-[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 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine (CID 122186928) is 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine is Nc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1.
What is the InChIKey of 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is RTCQEPISOSWPPZ-RBSFLKMASA-N. The full InChI is InChI=1S/C16H18N4/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2,(H2,17,19)/t13-,14-,15-/m1/s1.
What are the key properties of 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine?
4-[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 4-[5-[(1R,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 122186928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).