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

C24H28N4O3 — CID 58238273

IUPAC3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)c1
InChIInChI=1S/C24H28N4O3/c1-28(2)9-8-26-24(29)17-7-5-6-16(10-17)19-13-22(23(25)27-15-19)18-11-20(30-3)14-21(12-18)31-4/h5-7,10-15H,8-9H2,1-4H3,(H2,25,27)(H,26,29)
InChIKeyJIHOGSIAUDDEKS-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.31
Rot. Bonds8

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

3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 58238273) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID58238273
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)c1
InChIInChI=1S/C24H28N4O3/c1-28(2)9-8-26-24(29)17-7-5-6-16(10-17)19-13-22(23(25)27-15-19)18-11-20(30-3)14-21(12-18)31-4/h5-7,10-15H,8-9H2,1-4H3,(H2,25,27)(H,26,29)
InChIKeyJIHOGSIAUDDEKS-UHFFFAOYSA-N
XLogP3.31
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
3-[6-amino-5-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107400
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
3-[6-amino-5-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249
N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 68945225
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
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-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
CID 59836155
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 58238273) is 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is COc1cc(OC)cc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)c1.
What is the InChIKey of 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is JIHOGSIAUDDEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-28(2)9-8-26-24(29)17-7-5-6-16(10-17)19-13-22(23(25)27-15-19)18-11-20(30-3)14-21(12-18)31-4/h5-7,10-15H,8-9H2,1-4H3,(H2,25,27)(H,26,29).
What are the key properties of 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 58238273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).