2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid

C24H18N4O4 — CID 172875451

IUPAC2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ncccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N4O4/c29-19-13-12-15-7-4-5-10-17(15)21(19)28-27-18-11-6-14-25-22(18)23(30)26-20(24(31)32)16-8-2-1-3-9-16/h1-14,20,29H,(H,26,30)(H,31,32)/b28-27+
InChIKeySYTDKDNZPVIALG-BYYHNAKLSA-N
MW426.43 g/mol
LogP4.91
Rot. Bonds6

About 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid

2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid (PubChem CID 172875451) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid
PubChem CID172875451
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ncccc1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N4O4/c29-19-13-12-15-7-4-5-10-17(15)21(19)28-27-18-11-6-14-25-22(18)23(30)26-20(24(31)32)16-8-2-1-3-9-16/h1-14,20,29H,(H,26,30)(H,31,32)/b28-27+
InChIKeySYTDKDNZPVIALG-BYYHNAKLSA-N
XLogP4.91
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl (2R)-2-[[2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoyl]amino]-3-phenylpropanoate
CID 177378480
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
3-[(2-carboxy-3-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 154631764
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
methyl 3-[(2-hydroxynaphthalen-1-yl)diazenyl]thiophene-2-carboxylate
CID 2741407
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2S)-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 59513093

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid (CID 172875451) is 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ncccc1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is SYTDKDNZPVIALG-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-19-13-12-15-7-4-5-10-17(15)21(19)28-27-18-11-6-14-25-22(18)23(30)26-20(24(31)32)16-8-2-1-3-9-16/h1-14,20,29H,(H,26,30)(H,31,32)/b28-27+.
What are the key properties of 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid?
2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 426.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxynaphthalen-1-yl)diazenyl]pyridine-2-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 172875451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).