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

C16H23N5O — CID 75422459

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(C(C)c3cccnc3)C2)no1
InChIInChI=1S/C16H23N5O/c1-12(14-5-4-7-17-9-14)21-8-6-15(10-21)20(3)11-16-18-13(2)22-19-16/h4-5,7,9,12,15H,6,8,10-11H2,1-3H3
InChIKeyXMEVWTMKYQGCME-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine (PubChem CID 75422459) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
PubChem CID75422459
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
SMILESCc1nc(CN(C)C2CCN(C(C)c3cccnc3)C2)no1
InChIInChI=1S/C16H23N5O/c1-12(14-5-4-7-17-9-14)21-8-6-15(10-21)20(3)11-16-18-13(2)22-19-16/h4-5,7,9,12,15H,6,8,10-11H2,1-3H3
InChIKeyXMEVWTMKYQGCME-UHFFFAOYSA-N
XLogP2.04
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine (CID 75422459) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine is Cc1nc(CN(C)C2CCN(C(C)c3cccnc3)C2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine?
The InChIKey is XMEVWTMKYQGCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(14-5-4-7-17-9-14)21-8-6-15(10-21)20(3)11-16-18-13(2)22-19-16/h4-5,7,9,12,15H,6,8,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine has a molecular weight of 301.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75422459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).