(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

C17H25N5O — CID 97217440

IUPAC(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)no1
InChIInChI=1S/C17H25N5O/c1-3-17-19-16(20-23-17)13-21(2)15-7-11-22(12-15)10-6-14-4-8-18-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m0/s1
InChIKeyLVPSMGRWHBQGRV-HNNXBMFYSA-N
MW315.42 g/mol
LogP1.78
Rot. Bonds7

About (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine

(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (PubChem CID 97217440) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
PubChem CID97217440
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)no1
InChIInChI=1S/C17H25N5O/c1-3-17-19-16(20-23-17)13-21(2)15-7-11-22(12-15)10-6-14-4-8-18-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m0/s1
InChIKeyLVPSMGRWHBQGRV-HNNXBMFYSA-N
XLogP1.78
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
CID 71872697
N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 96512147
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 71872707
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512160
(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
(3S)-1-(1,3-benzoxazol-2-ylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512131
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793
2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95780185
(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 98772573
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 97318181

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine (CID 97217440) is (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is CCc1nc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)no1.
What is the InChIKey of (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
The InChIKey is LVPSMGRWHBQGRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-17-19-16(20-23-17)13-21(2)15-7-11-22(12-15)10-6-14-4-8-18-9-5-14/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine?
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 97217440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).