(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

C16H23N3 — CID 176737207

IUPAC(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)c1cnc(N2C[C@H]3C[C@@H]2CN3)cc1C1CC1
InChIInChI=1S/C16H23N3/c1-10(2)15-8-18-16(6-14(15)11-3-4-11)19-9-12-5-13(19)7-17-12/h6,8,10-13,17H,3-5,7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyJUMBPKXHAWMDTG-CHWSQXEVSA-N
MW257.38 g/mol
LogP2.63
Rot. Bonds3

About (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 176737207) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID176737207
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)c1cnc(N2C[C@H]3C[C@@H]2CN3)cc1C1CC1
InChIInChI=1S/C16H23N3/c1-10(2)15-8-18-16(6-14(15)11-3-4-11)19-9-12-5-13(19)7-17-12/h6,8,10-13,17H,3-5,7,9H2,1-2H3/t12-,13-/m1/s1
InChIKeyJUMBPKXHAWMDTG-CHWSQXEVSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (CID 176737207) is (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)c1cnc(N2C[C@H]3C[C@@H]2CN3)cc1C1CC1.
What is the InChIKey of (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JUMBPKXHAWMDTG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)15-8-18-16(6-14(15)11-3-4-11)19-9-12-5-13(19)7-17-12/h6,8,10-13,17H,3-5,7,9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 257.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(4-cyclopropyl-5-propan-2-yl-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 176737207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).