4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

C21H19N7O2 — CID 137084248

IUPAC4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1nc(/N=N/c2c(O)c(C(N)=O)cc3ccccc23)n(-c2ncccn2)c1C
InChIInChI=1S/C21H19N7O2/c1-3-16-12(2)28(20-23-9-6-10-24-20)21(25-16)27-26-17-14-8-5-4-7-13(14)11-15(18(17)29)19(22)30/h4-11,29H,3H2,1-2H3,(H2,22,30)/b27-26+
InChIKeyNXNKCJNPDLUMOY-CYYJNZCTSA-N
MW401.43 g/mol
LogP3.91
Rot. Bonds5

About 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide

4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 137084248) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID137084248
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESCCc1nc(/N=N/c2c(O)c(C(N)=O)cc3ccccc23)n(-c2ncccn2)c1C
InChIInChI=1S/C21H19N7O2/c1-3-16-12(2)28(20-23-9-6-10-24-20)21(25-16)27-26-17-14-8-5-4-7-13(14)11-15(18(17)29)19(22)30/h4-11,29H,3H2,1-2H3,(H2,22,30)/b27-26+
InChIKeyNXNKCJNPDLUMOY-CYYJNZCTSA-N
XLogP3.91
TPSA131.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
CID 3108214
N-hepta-2,4-dien-2-yl-3-hydroxy-4-[(1-pyrimidin-2-yl-4-sulfamoylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 137128800
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide
CID 136635199
methyl 3-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136635211
ethyl 2-[[3-[[4-[[4-[(2-ethoxycarbonylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]benzoate
CID 136854850
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-[[4,6-bis[bis(pyridin-2-ylmethyl)amino]-1,3,5-triazin-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 153167556
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 136706044
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
4-[[4-amino-6-[bis(pyridin-2-ylmethyl)amino]-1,3,5-triazin-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 153266747

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide (CID 137084248) is 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is CCc1nc(/N=N/c2c(O)c(C(N)=O)cc3ccccc23)n(-c2ncccn2)c1C.
What is the InChIKey of 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is NXNKCJNPDLUMOY-CYYJNZCTSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-3-16-12(2)28(20-23-9-6-10-24-20)21(25-16)27-26-17-14-8-5-4-7-13(14)11-15(18(17)29)19(22)30/h4-11,29H,3H2,1-2H3,(H2,22,30)/b27-26+.
What are the key properties of 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide?
4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methyl-1-pyrimidin-2-ylimidazol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 137084248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).