N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride

C28H29Cl2N3O — CID 67598283

IUPACN-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cl.Cl
InChIInChI=1S/C28H27N3O.2ClH/c1-31(2)18-17-29-28(32)24-15-13-21(14-16-24)25-19-26(22-9-5-3-6-10-22)30-27(20-25)23-11-7-4-8-12-23;;/h3-16,19-20H,17-18H2,1-2H3,(H,29,32);2*1H
InChIKeyROIHHRLTAFIIGW-UHFFFAOYSA-N
MW494.47 g/mol
LogP6.22
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride

N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride (PubChem CID 67598283) has the molecular formula C28H29Cl2N3O and a molecular weight of 494.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
PubChem CID67598283
Molecular FormulaC28H29Cl2N3O
Molecular Weight494.47 g/mol
Exact Mass493.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
SMILESCN(C)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cl.Cl
InChIInChI=1S/C28H27N3O.2ClH/c1-31(2)18-17-29-28(32)24-15-13-21(14-16-24)25-19-26(22-9-5-3-6-10-22)30-27(20-25)23-11-7-4-8-12-23;;/h3-16,19-20H,17-18H2,1-2H3,(H,29,32);2*1H
InChIKeyROIHHRLTAFIIGW-UHFFFAOYSA-N
XLogP6.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
N-[2-(dimethylamino)ethyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916098
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide
CID 10092620
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-[2-(dimethylamino)ethyl]-4-[6-(1-phenylbutylamino)pyrazin-2-yl]benzamide
CID 11304630

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride (CID 67598283) is N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride is CN(C)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride?
The InChIKey is ROIHHRLTAFIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O.2ClH/c1-31(2)18-17-29-28(32)24-15-13-21(14-16-24)25-19-26(22-9-5-3-6-10-22)30-27(20-25)23-11-7-4-8-12-23;;/h3-16,19-20H,17-18H2,1-2H3,(H,29,32);2*1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride?
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride has a molecular weight of 494.47 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride is sourced from PubChem (CID 67598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).