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

C28H28N4O2 — CID 25107397

IUPAC3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C28H28N4O2/c1-32(2)15-14-30-28(33)22-10-6-8-20(16-22)23-18-26(27(29)31-19-23)21-9-7-13-25(17-21)34-24-11-4-3-5-12-24/h3-13,16-19H,14-15H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyRMUJLZWBTBNSFM-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.08
Rot. Bonds8

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

3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 25107397) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID25107397
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C28H28N4O2/c1-32(2)15-14-30-28(33)22-10-6-8-20(16-22)23-18-26(27(29)31-19-23)21-9-7-13-25(17-21)34-24-11-4-3-5-12-24/h3-13,16-19H,14-15H2,1-2H3,(H2,29,31)(H,30,33)
InChIKeyRMUJLZWBTBNSFM-UHFFFAOYSA-N
XLogP5.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
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-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
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-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
3-(5-amino-6-dibenzofuran-4-ylpyrazin-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 25106430
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 67388113

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 25107397) is 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc(N)c(-c3cccc(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is RMUJLZWBTBNSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-32(2)15-14-30-28(33)22-10-6-8-20(16-22)23-18-26(27(29)31-19-23)21-9-7-13-25(17-21)34-24-11-4-3-5-12-24/h3-13,16-19H,14-15H2,1-2H3,(H2,29,31)(H,30,33).
What are the key properties of 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 25107397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).