2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid

C12H13N3O5 — CID 3028423

IUPAC2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
SMILESCc1cc(C(=O)NN=C(CCC(=O)O)C(=O)O)ccn1
InChIInChI=1S/C12H13N3O5/c1-7-6-8(4-5-13-7)11(18)15-14-9(12(19)20)2-3-10(16)17/h4-6H,2-3H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyXGGNHRNERLZGFU-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.43
Rot. Bonds6

About 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid

2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid (PubChem CID 3028423) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
PubChem CID3028423
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
SMILESCc1cc(C(=O)NN=C(CCC(=O)O)C(=O)O)ccn1
InChIInChI=1S/C12H13N3O5/c1-7-6-8(4-5-13-7)11(18)15-14-9(12(19)20)2-3-10(16)17/h4-6H,2-3H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyXGGNHRNERLZGFU-UHFFFAOYSA-N
XLogP0.43
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
CID 121001993
N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
CID 74329809
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
5-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752753
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid?
The IUPAC name of 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid (CID 3028423) is 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid.
What is the SMILES notation for 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid?
The canonical SMILES for 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid is Cc1cc(C(=O)NN=C(CCC(=O)O)C(=O)O)ccn1.
What is the InChIKey of 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid?
The InChIKey is XGGNHRNERLZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-7-6-8(4-5-13-7)11(18)15-14-9(12(19)20)2-3-10(16)17/h4-6H,2-3H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid?
2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid has a molecular weight of 279.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid is sourced from PubChem (CID 3028423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).