2-(4-butoxyanilino)pyridine-3-carboxylate

C16H17N2O3- — CID 7130496

IUPAC2-(4-butoxyanilino)pyridine-3-carboxylate
SMILESCCCCOc1ccc(Nc2ncccc2C(=O)[O-])cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-11-21-13-8-6-12(7-9-13)18-15-14(16(19)20)5-4-10-17-15/h4-10H,2-3,11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyFYHNVXNVOIDMLC-UHFFFAOYSA-M
MW285.32 g/mol
LogP2.37
Rot. Bonds7

About 2-(4-butoxyanilino)pyridine-3-carboxylate

2-(4-butoxyanilino)pyridine-3-carboxylate (PubChem CID 7130496) has the molecular formula C16H17N2O3- and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(4-butoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-(4-butoxyanilino)pyridine-3-carboxylate
PubChem CID7130496
Molecular FormulaC16H17N2O3-
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-(4-butoxyanilino)pyridine-3-carboxylate
SMILESCCCCOc1ccc(Nc2ncccc2C(=O)[O-])cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-11-21-13-8-6-12(7-9-13)18-15-14(16(19)20)5-4-10-17-15/h4-10H,2-3,11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyFYHNVXNVOIDMLC-UHFFFAOYSA-M
XLogP2.37
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-propoxyanilino)pyridine-3-carbothioamide
CID 62327992
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
zinc bis(2-butoxybenzoate)
CID 67242742
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23495159
6-N-(4-butoxyphenyl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 23495089
4-(4-butoxyanilino)-4-oxobut-2-enoate
CID 6999371
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86898718

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)pyridine-3-carboxylate?
The IUPAC name of 2-(4-butoxyanilino)pyridine-3-carboxylate (CID 7130496) is 2-(4-butoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for 2-(4-butoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for 2-(4-butoxyanilino)pyridine-3-carboxylate is CCCCOc1ccc(Nc2ncccc2C(=O)[O-])cc1.
What is the InChIKey of 2-(4-butoxyanilino)pyridine-3-carboxylate?
The InChIKey is FYHNVXNVOIDMLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-11-21-13-8-6-12(7-9-13)18-15-14(16(19)20)5-4-10-17-15/h4-10H,2-3,11H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-(4-butoxyanilino)pyridine-3-carboxylate?
2-(4-butoxyanilino)pyridine-3-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 7130496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).