N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride

C14H21Cl2N5O — CID 154895780

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCN(Cc1nc(-c2ccncc2)no1)CC1CCNC1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-19(9-11-2-5-16-8-11)10-13-17-14(18-20-13)12-3-6-15-7-4-12;;/h3-4,6-7,11,16H,2,5,8-10H2,1H3;2*1H
InChIKeyBJQOQQLDBAETLE-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride

N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride (PubChem CID 154895780) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
PubChem CID154895780
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCN(Cc1nc(-c2ccncc2)no1)CC1CCNC1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-19(9-11-2-5-16-8-11)10-13-17-14(18-20-13)12-3-6-15-7-4-12;;/h3-4,6-7,11,16H,2,5,8-10H2,1H3;2*1H
InChIKeyBJQOQQLDBAETLE-UHFFFAOYSA-N
XLogP2.02
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride with MolForge

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Related Compounds

tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 174704864
N,N-dimethyl-1-[4-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120842104
(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125173745
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
N-(piperidin-4-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 79701543
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
5-pyridin-4-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;trihydrochloride
CID 146050553

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride (CID 154895780) is N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride is CN(Cc1nc(-c2ccncc2)no1)CC1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
The InChIKey is BJQOQQLDBAETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-19(9-11-2-5-16-8-11)10-13-17-14(18-20-13)12-3-6-15-7-4-12;;/h3-4,6-7,11,16H,2,5,8-10H2,1H3;2*1H.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride?
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 154895780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).