3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide

C23H25N3O5 — CID 126672906

IUPAC3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
SMILESCOc1cc(-c2cc(-c3cccc(C(=O)NCCO)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-29-19-11-16(12-20(30-2)21(19)31-3)18-10-17(13-26-22(18)24)14-5-4-6-15(9-14)23(28)25-7-8-27/h4-6,9-13,27H,7-8H2,1-3H3,(H2,24,26)(H,25,28)
InChIKeyGOSDBKJGOCIDPO-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.75
Rot. Bonds8

About 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide

3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 126672906) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
PubChem CID126672906
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
SMILESCOc1cc(-c2cc(-c3cccc(C(=O)NCCO)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-29-19-11-16(12-20(30-2)21(19)31-3)18-10-17(13-26-22(18)24)14-5-4-6-15(9-14)23(28)25-7-8-27/h4-6,9-13,27H,7-8H2,1-3H3,(H2,24,26)(H,25,28)
InChIKeyGOSDBKJGOCIDPO-UHFFFAOYSA-N
XLogP2.75
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
3-[6-amino-5-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249
3-[6-amino-5-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107400
3-amino-N-(2-hydroxyethyl)-6-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 121004737
3-[6-amino-5-(3-methoxyphenyl)-3-pyridinyl]-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 58238282
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide (CID 126672906) is 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide is COc1cc(-c2cc(-c3cccc(C(=O)NCCO)c3)cnc2N)cc(OC)c1OC.
What is the InChIKey of 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is GOSDBKJGOCIDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-29-19-11-16(12-20(30-2)21(19)31-3)18-10-17(13-26-22(18)24)14-5-4-6-15(9-14)23(28)25-7-8-27/h4-6,9-13,27H,7-8H2,1-3H3,(H2,24,26)(H,25,28).
What are the key properties of 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide?
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 423.47 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 126672906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).