4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid

C19H22N4O4 — CID 21111391

IUPAC4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(-c3cnc(N)c(O)c3)cc2)CC(C)N1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-11-9-22(10-12(2)23(11)19(26)27)18(25)14-5-3-13(4-6-14)15-7-16(24)17(20)21-8-15/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,21)(H,26,27)
InChIKeyHDQZCPATOJCXFH-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.25
Rot. Bonds2

About 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid

4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 21111391) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID21111391
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(-c3cnc(N)c(O)c3)cc2)CC(C)N1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-11-9-22(10-12(2)23(11)19(26)27)18(25)14-5-3-13(4-6-14)15-7-16(24)17(20)21-8-15/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,21)(H,26,27)
InChIKeyHDQZCPATOJCXFH-UHFFFAOYSA-N
XLogP2.25
TPSA119.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid with MolForge

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Related Compounds

N-(5-hydroxy-pyridin-2-yl)-4-cyclohexyl-benzamide
CID 135137479
4-benzoyl-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109372
4-tert-butyl-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109389
N-(3-hydroxy-2-pyridinyl)-4-phenylbenzamide
CID 18109421
N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 24980956
4-[6-Amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
CID 122531722
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 122531756
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-cyclopropylbenzamide
CID 122531771
Usp7-IN-8
CID 122531799
1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-2-phenylethanone
CID 156273738
1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 156273924
1-[4-(5-Hydroxy-2-pyridinyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
CID 156273930

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid (CID 21111391) is 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid is CC1CN(C(=O)c2ccc(-c3cnc(N)c(O)c3)cc2)CC(C)N1C(=O)O.
What is the InChIKey of 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is HDQZCPATOJCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-9-22(10-12(2)23(11)19(26)27)18(25)14-5-3-13(4-6-14)15-7-16(24)17(20)21-8-15/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,21)(H,26,27).
What are the key properties of 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid?
4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-5-hydroxy-3-pyridinyl)benzoyl]-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 21111391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).