N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride

C15H24Cl2N6O — CID 120753085

IUPACN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
SMILESCc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-11-3-2-4-13(18-11)17-8-12-5-6-21(9-12)10-14-19-15(7-16)22-20-14;;/h2-4,12H,5-10,16H2,1H3,(H,17,18);2*1H
InChIKeyDNDKIQQIYGQXOL-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.01
Rot. Bonds6

About N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride

N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride (PubChem CID 120753085) has the molecular formula C15H24Cl2N6O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
PubChem CID120753085
Molecular FormulaC15H24Cl2N6O
Molecular Weight375.30 g/mol
Exact Mass374.14
IUPAC NameN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
SMILESCc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1.Cl.Cl
InChIInChI=1S/C15H22N6O.2ClH/c1-11-3-2-4-13(18-11)17-8-12-5-6-21(9-12)10-14-19-15(7-16)22-20-14;;/h2-4,12H,5-10,16H2,1H3,(H,17,18);2*1H
InChIKeyDNDKIQQIYGQXOL-UHFFFAOYSA-N
XLogP2.01
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120751652
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 120753091
6-methyl-N-[[(3R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124614682
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532
[3-[[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752753

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride?
The IUPAC name of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride (CID 120753085) is N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride?
The canonical SMILES for N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride is Cc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1.Cl.Cl.
What is the InChIKey of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride?
The InChIKey is DNDKIQQIYGQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.2ClH/c1-11-3-2-4-13(18-11)17-8-12-5-6-21(9-12)10-14-19-15(7-16)22-20-14;;/h2-4,12H,5-10,16H2,1H3,(H,17,18);2*1H.
What are the key properties of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride?
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride is sourced from PubChem (CID 120753085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).