2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C20H26N4O2 — CID 55728637

IUPAC2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-23(2)13-14-26-18-8-4-3-7-17(18)20(25)22-16-9-10-19(21-15-16)24-11-5-6-12-24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,22,25)
InChIKeyBKPIIVYOGSHSBL-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 55728637) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID55728637
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H26N4O2/c1-23(2)13-14-26-18-8-4-3-7-17(18)20(25)22-16-9-10-19(21-15-16)24-11-5-6-12-24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,22,25)
InChIKeyBKPIIVYOGSHSBL-UHFFFAOYSA-N
XLogP2.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 163510336
2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46084230
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-[3-chloro-4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 70063154
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42857609
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55960659
N-[6-(azepan-1-yl)-3-pyridinyl]-4-chloro-2-(dimethylamino)-5-phenylbenzamide
CID 162096371

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 55728637) is 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is CN(C)CCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is BKPIIVYOGSHSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)13-14-26-18-8-4-3-7-17(18)20(25)22-16-9-10-19(21-15-16)24-11-5-6-12-24/h3-4,7-10,15H,5-6,11-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 55728637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).