6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid

C18H13N5O3 — CID 102349803

IUPAC6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NN=C(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C18H13N5O3/c24-17(14-8-5-9-15(21-14)18(25)26)23-22-16(12-6-1-3-10-19-12)13-7-2-4-11-20-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyZUGNJTMPCAXQIT-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.75
Rot. Bonds5

About 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid

6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 102349803) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
PubChem CID102349803
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NN=C(c2ccccn2)c2ccccn2)n1
InChIInChI=1S/C18H13N5O3/c24-17(14-8-5-9-15(21-14)18(25)26)23-22-16(12-6-1-3-10-19-12)13-7-2-4-11-20-13/h1-11H,(H,23,24)(H,25,26)
InChIKeyZUGNJTMPCAXQIT-UHFFFAOYSA-N
XLogP1.75
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
gadolinium;pyridine-2-carboxylic acid
CID 175231422
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
europium;pyridine-2-carboxylic acid
CID 174808227
CID 175246691
CID 175246691
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141

Frequently Asked Questions

What is the IUPAC name of 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid (CID 102349803) is 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NN=C(c2ccccn2)c2ccccn2)n1.
What is the InChIKey of 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZUGNJTMPCAXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-17(14-8-5-9-15(21-14)18(25)26)23-22-16(12-6-1-3-10-19-12)13-7-2-4-11-20-13/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid?
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 102349803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).