4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid

C24H25N7O6 — CID 155446921

IUPAC4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
SMILESCc1cc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)nc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C24H25N7O6/c1-12-6-19(17(25)10-30(27)13-2-4-15(23(34)35)21(32)8-13)29-20(7-12)18(26)11-31(28)14-3-5-16(24(36)37)22(33)9-14/h2-11,32-33H,25-28H2,1H3,(H,34,35)(H,36,37)/b17-10-,18-11-
InChIKeyOBXCQAAYIJLTIB-IWSCKCOWSA-N
MW507.51 g/mol
LogP1.47
Rot. Bonds8

About 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid

4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid (PubChem CID 155446921) has the molecular formula C24H25N7O6 and a molecular weight of 507.51 g/mol. Its IUPAC name is 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
PubChem CID155446921
Molecular FormulaC24H25N7O6
Molecular Weight507.51 g/mol
Exact Mass507.19
IUPAC Name4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
SMILESCc1cc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)nc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C24H25N7O6/c1-12-6-19(17(25)10-30(27)13-2-4-15(23(34)35)21(32)8-13)29-20(7-12)18(26)11-31(28)14-3-5-16(24(36)37)22(33)9-14/h2-11,32-33H,25-28H2,1H3,(H,34,35)(H,36,37)/b17-10-,18-11-
InChIKeyOBXCQAAYIJLTIB-IWSCKCOWSA-N
XLogP1.47
TPSA238.51 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 51.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid with MolForge

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Related Compounds

4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methoxycarbonyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid
CID 155446901
4-[amino-[(Z)-2-amino-2-(4-ethynyl-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
CID 139314555
4-[amino-[(Z)-2-amino-2-(4-cyano-2-pyridinyl)ethenyl]amino]-2-hydroxybenzoic acid
CID 155446319
4-[4-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 170187362
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
4-(dimethylamino)-2-hydroxybenzamide
CID 59564012
4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
CID 170187308
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
2,4-dihydroxybenzoic acid
CID 1491
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid (CID 155446921) is 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid is Cc1cc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)nc(/C(N)=C/N(N)c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid?
The InChIKey is OBXCQAAYIJLTIB-IWSCKCOWSA-N. The full InChI is InChI=1S/C24H25N7O6/c1-12-6-19(17(25)10-30(27)13-2-4-15(23(34)35)21(32)8-13)29-20(7-12)18(26)11-31(28)14-3-5-16(24(36)37)22(33)9-14/h2-11,32-33H,25-28H2,1H3,(H,34,35)(H,36,37)/b17-10-,18-11-.
What are the key properties of 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid?
4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid has a molecular weight of 507.51 g/mol, XLogP of 1.47, 8 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(Z)-2-amino-2-[6-[(Z)-1-amino-2-(N-amino-4-carboxy-3-hydroxyanilino)ethenyl]-4-methyl-2-pyridinyl]ethenyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 155446921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).