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

C17H28Cl2N4 — CID 66815760

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1.Cl.Cl
InChIInChI=1S/C17H26N4.2ClH/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);2*1H/t12?,13?,14-,16?;;/m1../s1
InChIKeyUNZZIPGSYLMDRE-SBVZSOIPSA-N
MW359.35 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride (PubChem CID 66815760) has the molecular formula C17H28Cl2N4 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
PubChem CID66815760
Molecular FormulaC17H28Cl2N4
Molecular Weight359.35 g/mol
Exact Mass358.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
SMILESCN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1.Cl.Cl
InChIInChI=1S/C17H26N4.2ClH/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);2*1H/t12?,13?,14-,16?;;/m1../s1
InChIKeyUNZZIPGSYLMDRE-SBVZSOIPSA-N
XLogP3.32
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 67087675
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547719
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
N-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 67087592
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
4-[(3S)-3-aminopyrrolidin-1-yl]-N-[(1S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 66815761

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;dihydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride (CID 66815760) is N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride is CN[C@@H]1CCN(c2ccnc(NC3CC4CCC3C4)c2)C1.Cl.Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride?
The InChIKey is UNZZIPGSYLMDRE-SBVZSOIPSA-N. The full InChI is InChI=1S/C17H26N4.2ClH/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);2*1H/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;dihydrochloride?
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride has a molecular weight of 359.35 g/mol, XLogP of 3.32, 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;dihydrochloride is sourced from PubChem (CID 66815760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).