2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide

C24H26N4O3 — CID 171934732

IUPAC2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N
InChIInChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)
InChIKeyYNPXBUGWZQVVNF-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.26
Rot. Bonds4

About 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide

2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide (PubChem CID 171934732) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
PubChem CID171934732
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N
InChIInChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)
InChIKeyYNPXBUGWZQVVNF-UHFFFAOYSA-N
XLogP3.26
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-pyridazin-4-ylbenzamide
CID 177283680
2-(2-morpholin-4-yl-4-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547381
3,4-dimethyl-2-morpholin-4-ylbenzamide
CID 155069283
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-(6-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 177283615
2,3-dimethyl-4-[4-[5-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490659
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
4-[4-(2-methyl-5-nitroso-3-pyridinyl)-2-pyridinyl]morpholine
CID 168928475
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
2-[4-(2-methyl-4-pyridinyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 142788629
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175231
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide (CID 171934732) is 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide is Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide?
The InChIKey is YNPXBUGWZQVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30).
What are the key properties of 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide?
2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide is sourced from PubChem (CID 171934732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).