1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine

C54H78N10O2 — CID 158883871

IUPAC1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine
SMILESCN(CCCC1CC(c2cccnc2)N(C)C1)CCCC1CC(c2cccnc2)N(C)C1.CN(CCCC1CC(c2cccnc2)N(C)C1=O)CCCC1CC(c2cccnc2)N(C)C1=O
InChIInChI=1S/C27H37N5O2.C27H41N5/c1-30(14-6-10-20-16-24(31(2)26(20)33)22-8-4-12-28-18-22)15-7-11-21-17-25(32(3)27(21)34)23-9-5-13-29-19-23;1-30(14-6-8-22-16-26(31(2)20-22)24-10-4-12-28-18-24)15-7-9-23-17-27(32(3)21-23)25-11-5-13-29-19-25/h4-5,8-9,12-13,18-21,24-25H,6-7,10-11,14-17H2,1-3H3;4-5,10-13,18-19,22-23,26-27H,6-9,14-17,20-21H2,1-3H3
InChIKeyJDJFSWWBKQMRNR-UHFFFAOYSA-N
MW899.29 g/mol
LogP8.36
Rot. Bonds20

About 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine

1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine (PubChem CID 158883871) has the molecular formula C54H78N10O2 and a molecular weight of 899.29 g/mol. Its IUPAC name is 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine
PubChem CID158883871
Molecular FormulaC54H78N10O2
Molecular Weight899.29 g/mol
Exact Mass898.63
IUPAC Name1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine
SMILESCN(CCCC1CC(c2cccnc2)N(C)C1)CCCC1CC(c2cccnc2)N(C)C1.CN(CCCC1CC(c2cccnc2)N(C)C1=O)CCCC1CC(c2cccnc2)N(C)C1=O
InChIInChI=1S/C27H37N5O2.C27H41N5/c1-30(14-6-10-20-16-24(31(2)26(20)33)22-8-4-12-28-18-22)15-7-11-21-17-25(32(3)27(21)34)23-9-5-13-29-19-23;1-30(14-6-8-22-16-26(31(2)20-22)24-10-4-12-28-18-24)15-7-9-23-17-27(32(3)21-23)25-11-5-13-29-19-25/h4-5,8-9,12-13,18-21,24-25H,6-7,10-11,14-17H2,1-3H3;4-5,10-13,18-19,22-23,26-27H,6-9,14-17,20-21H2,1-3H3
InChIKeyJDJFSWWBKQMRNR-UHFFFAOYSA-N
XLogP8.36
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.29
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine?
The IUPAC name of 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine (CID 158883871) is 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine?
The canonical SMILES for 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine is CN(CCCC1CC(c2cccnc2)N(C)C1)CCCC1CC(c2cccnc2)N(C)C1.CN(CCCC1CC(c2cccnc2)N(C)C1=O)CCCC1CC(c2cccnc2)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine?
The InChIKey is JDJFSWWBKQMRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2.C27H41N5/c1-30(14-6-10-20-16-24(31(2)26(20)33)22-8-4-12-28-18-22)15-7-11-21-17-25(32(3)27(21)34)23-9-5-13-29-19-23;1-30(14-6-8-22-16-26(31(2)20-22)24-10-4-12-28-18-24)15-7-9-23-17-27(32(3)21-23)25-11-5-13-29-19-25/h4-5,8-9,12-13,18-21,24-25H,6-7,10-11,14-17H2,1-3H3;4-5,10-13,18-19,22-23,26-27H,6-9,14-17,20-21H2,1-3H3.
What are the key properties of 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine?
1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine has a molecular weight of 899.29 g/mol, XLogP of 8.36, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[methyl-[3-(1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl)propyl]amino]propyl]-5-pyridin-3-ylpyrrolidin-2-one;N-methyl-3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)-N-[3-(1-methyl-5-pyridin-3-ylpyrrolidin-3-yl)propyl]propan-1-amine is sourced from PubChem (CID 158883871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).