N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine

C19H25N5O4 — CID 110172108

IUPACN-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine
SMILESCc1cc(C)cc(Nc2ccc([N+](=O)[O-])/c(=N\CCN3CCOCC3)n2O)c1
InChIInChI=1S/C19H25N5O4/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(26)27)19(23(18)25)20-5-6-22-7-9-28-10-8-22/h3-4,11-13,21,25H,5-10H2,1-2H3/b20-19+
InChIKeyVSPUSHDRPQNABO-FMQUCBEESA-N
MW387.44 g/mol
LogP2.23
Rot. Bonds6

About N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine

N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine (PubChem CID 110172108) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine
PubChem CID110172108
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine
SMILESCc1cc(C)cc(Nc2ccc([N+](=O)[O-])/c(=N\CCN3CCOCC3)n2O)c1
InChIInChI=1S/C19H25N5O4/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(26)27)19(23(18)25)20-5-6-22-7-9-28-10-8-22/h3-4,11-13,21,25H,5-10H2,1-2H3/b20-19+
InChIKeyVSPUSHDRPQNABO-FMQUCBEESA-N
XLogP2.23
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine (CID 110172108) is N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine is Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])/c(=N\CCN3CCOCC3)n2O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine?
The InChIKey is VSPUSHDRPQNABO-FMQUCBEESA-N. The full InChI is InChI=1S/C19H25N5O4/c1-14-11-15(2)13-16(12-14)21-18-4-3-17(24(26)27)19(23(18)25)20-5-6-22-7-9-28-10-8-22/h3-4,11-13,21,25H,5-10H2,1-2H3/b20-19+.
What are the key properties of N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine?
N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine has a molecular weight of 387.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-hydroxy-6-(2-morpholin-4-ylethylimino)-5-nitropyridin-2-amine is sourced from PubChem (CID 110172108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).