6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide

C20H26N4O — CID 133473284

IUPAC6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CN(Cc3ccccc3)CC2C)nc1
InChIInChI=1S/C20H26N4O/c1-3-21-20(25)17-9-10-19(22-11-17)23-18-14-24(12-15(18)2)13-16-7-5-4-6-8-16/h4-11,15,18H,3,12-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAKVMQDOFMYBMRK-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.76
Rot. Bonds6

About 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide

6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide (PubChem CID 133473284) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
PubChem CID133473284
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC2CN(Cc3ccccc3)CC2C)nc1
InChIInChI=1S/C20H26N4O/c1-3-21-20(25)17-9-10-19(22-11-17)23-18-14-24(12-15(18)2)13-16-7-5-4-6-8-16/h4-11,15,18H,3,12-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAKVMQDOFMYBMRK-UHFFFAOYSA-N
XLogP2.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 129429409
4-[[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122010099
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133473329
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
N-ethyl-6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridine-3-carboxamide
CID 133439056
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
CID 133121148
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
1-[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-methylsulfonylphenyl]ethanone
CID 133473314
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
CID 83851265
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724

Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide (CID 133473284) is 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(NC2CN(Cc3ccccc3)CC2C)nc1.
What is the InChIKey of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide?
The InChIKey is AKVMQDOFMYBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-21-20(25)17-9-10-19(22-11-17)23-18-14-24(12-15(18)2)13-16-7-5-4-6-8-16/h4-11,15,18H,3,12-14H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide?
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 133473284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).