3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

C28H28N4O — CID 25106863

IUPAC3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C28H28N4O/c1-32(2)16-15-30-28(33)24-10-6-9-23(17-24)25-18-26(27(29)31-19-25)22-13-11-21(12-14-22)20-7-4-3-5-8-20/h3-14,17-19H,15-16H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyOKIKTTAWRNMMSB-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.96
Rot. Bonds7

About 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25106863) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25106863
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C28H28N4O/c1-32(2)16-15-30-28(33)24-10-6-9-23(17-24)25-18-26(27(29)31-19-25)22-13-11-21(12-14-22)20-7-4-3-5-8-20/h3-14,17-19H,15-16H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyOKIKTTAWRNMMSB-UHFFFAOYSA-N
XLogP4.96
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
3-[6-amino-5-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107400
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
3-[6-amino-5-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 67388113
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 25106430
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 25106863) is 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is OKIKTTAWRNMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-32(2)16-15-30-28(33)24-10-6-9-23(17-24)25-18-26(27(29)31-19-25)22-13-11-21(12-14-22)20-7-4-3-5-8-20/h3-14,17-19H,15-16H2,1-2H3,(H2,29,31)(H,30,33).
What are the key properties of 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 436.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25106863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).