4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane

C16H17N3 — CID 67493852

IUPAC4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane
SMILESc1cncc(-c2ccc(C34CCN(CC3)C4)cn2)c1
InChIInChI=1S/C16H17N3/c1-2-13(10-17-7-1)15-4-3-14(11-18-15)16-5-8-19(12-16)9-6-16/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyDHVVFPPYYQSEHM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds2

About 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane

4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane (PubChem CID 67493852) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane
PubChem CID67493852
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane
SMILESc1cncc(-c2ccc(C34CCN(CC3)C4)cn2)c1
InChIInChI=1S/C16H17N3/c1-2-13(10-17-7-1)15-4-3-14(11-18-15)16-5-8-19(12-16)9-6-16/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyDHVVFPPYYQSEHM-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane (CID 67493852) is 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane is c1cncc(-c2ccc(C34CCN(CC3)C4)cn2)c1.
What is the InChIKey of 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is DHVVFPPYYQSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-13(10-17-7-1)15-4-3-14(11-18-15)16-5-8-19(12-16)9-6-16/h1-4,7,10-11H,5-6,8-9,12H2.
What are the key properties of 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane?
4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 251.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-3-yl-3-pyridinyl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 67493852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).