N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C17H26N4 — CID 58227342

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1
InChIInChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1
InChIKeyWGDVNAMQYXMAJQ-SWAPUOLTSA-N
MW286.42 g/mol
LogP2.48
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 58227342) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID58227342
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1
InChIInChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1
InChIKeyWGDVNAMQYXMAJQ-SWAPUOLTSA-N
XLogP2.48
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 58227342) is N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is WGDVNAMQYXMAJQ-SWAPUOLTSA-N. The full InChI is InChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 58227342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).