N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C22H22N6O — CID 162799245

IUPACN-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCNc1ccc(-c2noc([C@H]3CCCN3Cc3cnc4ccccc4c3)n2)cn1
InChIInChI=1S/C22H22N6O/c1-23-20-9-8-17(13-25-20)21-26-22(29-27-21)19-7-4-10-28(19)14-15-11-16-5-2-3-6-18(16)24-12-15/h2-3,5-6,8-9,11-13,19H,4,7,10,14H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyLPOMQQGMOVSQNO-LJQANCHMSA-N
MW386.46 g/mol
LogP4.06
Rot. Bonds5

About N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 162799245) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID162799245
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCNc1ccc(-c2noc([C@H]3CCCN3Cc3cnc4ccccc4c3)n2)cn1
InChIInChI=1S/C22H22N6O/c1-23-20-9-8-17(13-25-20)21-26-22(29-27-21)19-7-4-10-28(19)14-15-11-16-5-2-3-6-18(16)24-12-15/h2-3,5-6,8-9,11-13,19H,4,7,10,14H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyLPOMQQGMOVSQNO-LJQANCHMSA-N
XLogP4.06
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
N-[4-[[(2R)-2-[3-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]-N-oxidohydroxylamine
CID 163155566
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
N-[5-[5-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162819862
N-[5-[5-[(2R)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162810699
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
N-[5-[5-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-methoxybenzamide
CID 75614871
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
2-methoxy-N-[5-[5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 75131329

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 162799245) is N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is CNc1ccc(-c2noc([C@H]3CCCN3Cc3cnc4ccccc4c3)n2)cn1.
What is the InChIKey of N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is LPOMQQGMOVSQNO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N6O/c1-23-20-9-8-17(13-25-20)21-26-22(29-27-21)19-7-4-10-28(19)14-15-11-16-5-2-3-6-18(16)24-12-15/h2-3,5-6,8-9,11-13,19H,4,7,10,14H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-[(2R)-1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162799245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).