1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

C24H30N4O — CID 25299533

IUPAC1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)nc1
InChIInChI=1S/C24H30N4O/c1-4-19-9-12-21(25-15-19)16-28(3)17-22-26-23(27-29-22)24(13-5-6-14-24)20-10-7-18(2)8-11-20/h7-12,15H,4-6,13-14,16-17H2,1-3H3
InChIKeyBXQQAJBDKJMEOP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.83
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 25299533) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID25299533
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)nc1
InChIInChI=1S/C24H30N4O/c1-4-19-9-12-21(25-15-19)16-28(3)17-22-26-23(27-29-22)24(13-5-6-14-24)20-10-7-18(2)8-11-20/h7-12,15H,4-6,13-14,16-17H2,1-3H3
InChIKeyBXQQAJBDKJMEOP-UHFFFAOYSA-N
XLogP4.83
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 25299533) is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is CCc1ccc(CN(C)Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is BXQQAJBDKJMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-19-9-12-21(25-15-19)16-28(3)17-22-26-23(27-29-22)24(13-5-6-14-24)20-10-7-18(2)8-11-20/h7-12,15H,4-6,13-14,16-17H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 390.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 25299533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).