4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide

C26H36N6O2 — CID 166376823

IUPAC4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide
SMILESCN(CCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccn3)C2)CC1)Cc1ccccc1
InChIInChI=1S/C26H36N6O2/c1-30(19-21-7-3-2-4-8-21)18-14-28-25(33)22-10-15-31(16-11-22)26(34)29-23-12-17-32(20-23)24-9-5-6-13-27-24/h2-9,13,22-23H,10-12,14-20H2,1H3,(H,28,33)(H,29,34)
InChIKeyPFAPMPZHXFWTIO-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.33
Rot. Bonds8

About 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide

4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide (PubChem CID 166376823) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide
PubChem CID166376823
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide
SMILESCN(CCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccn3)C2)CC1)Cc1ccccc1
InChIInChI=1S/C26H36N6O2/c1-30(19-21-7-3-2-4-8-21)18-14-28-25(33)22-10-15-31(16-11-22)26(34)29-23-12-17-32(20-23)24-9-5-6-13-27-24/h2-9,13,22-23H,10-12,14-20H2,1H3,(H,28,33)(H,29,34)
InChIKeyPFAPMPZHXFWTIO-UHFFFAOYSA-N
XLogP2.33
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
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CID 115706396
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
(3S,4S)-1-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122007765
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
2-[methyl(pyridin-3-ylmethyl)amino]-N-(1-pyridin-2-ylpiperidin-3-yl)acetamide
CID 110107098
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide (CID 166376823) is 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide is CN(CCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccn3)C2)CC1)Cc1ccccc1.
What is the InChIKey of 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
The InChIKey is PFAPMPZHXFWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-30(19-21-7-3-2-4-8-21)18-14-28-25(33)22-10-15-31(16-11-22)26(34)29-23-12-17-32(20-23)24-9-5-6-13-27-24/h2-9,13,22-23H,10-12,14-20H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide?
4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide has a molecular weight of 464.61 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 166376823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).