N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide

C24H18N4O6 — CID 136814357

IUPACN-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(O)c(O)c3)cn2)nc1)c1ccc(O)c(O)c1
InChIInChI=1S/C24H18N4O6/c29-19-7-1-13(9-21(19)31)23(33)27-15-3-5-17(25-11-15)18-6-4-16(12-26-18)28-24(34)14-2-8-20(30)22(32)10-14/h1-12,29-32H,(H,27,33)(H,28,34)
InChIKeyLSLVFRKQVZIFKC-UHFFFAOYSA-N
MW458.43 g/mol
LogP3.47
Rot. Bonds5

About N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide

N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide (PubChem CID 136814357) has the molecular formula C24H18N4O6 and a molecular weight of 458.43 g/mol. Its IUPAC name is N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
PubChem CID136814357
Molecular FormulaC24H18N4O6
Molecular Weight458.43 g/mol
Exact Mass458.12
IUPAC NameN-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(O)c(O)c3)cn2)nc1)c1ccc(O)c(O)c1
InChIInChI=1S/C24H18N4O6/c29-19-7-1-13(9-21(19)31)23(33)27-15-3-5-17(25-11-15)18-6-4-16(12-26-18)28-24(34)14-2-8-20(30)22(32)10-14/h1-12,29-32H,(H,27,33)(H,28,34)
InChIKeyLSLVFRKQVZIFKC-UHFFFAOYSA-N
XLogP3.47
TPSA164.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 53.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
CID 169324519
N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide (CID 136814357) is N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide is O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(O)c(O)c3)cn2)nc1)c1ccc(O)c(O)c1.
What is the InChIKey of N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide?
The InChIKey is LSLVFRKQVZIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O6/c29-19-7-1-13(9-21(19)31)23(33)27-15-3-5-17(25-11-15)18-6-4-16(12-26-18)28-24(34)14-2-8-20(30)22(32)10-14/h1-12,29-32H,(H,27,33)(H,28,34).
What are the key properties of N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide?
N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide has a molecular weight of 458.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 136814357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).