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

C15H22N6O — CID 120753086

IUPACN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1
InChIInChI=1S/C15H22N6O/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)
InChIKeyORSCPSOOJXLGDB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.17
Rot. Bonds6

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

N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 120753086) has the molecular formula C15H22N6O and a molecular weight of 302.38 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.

Molecular Properties

Compound NameN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
PubChem CID120753086
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1
InChIInChI=1S/C15H22N6O/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)
InChIKeyORSCPSOOJXLGDB-UHFFFAOYSA-N
XLogP1.17
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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;dihydrochloride
CID 120753085
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
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120751652
6-methyl-N-[[(3R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124614682
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523

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?
The IUPAC name of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (CID 120753086) is N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.
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?
The canonical SMILES for N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCC2CCN(Cc3noc(CN)n3)C2)n1.
What is the InChIKey of N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is ORSCPSOOJXLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/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).
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?
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 1.17, 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 is sourced from PubChem (CID 120753086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).