6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid

C15H16N2O4S — CID 12862390

IUPAC6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCCc1cc(C(=O)O)c(Nc2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C15H16N2O4S/c1-2-3-4-10-7-11(15(20)21)13(22-10)17-12-6-5-9(8-16-12)14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyZJOHEVMWYCNFER-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.63
Rot. Bonds7

About 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid

6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 12862390) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID12862390
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCCCc1cc(C(=O)O)c(Nc2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C15H16N2O4S/c1-2-3-4-10-7-11(15(20)21)13(22-10)17-12-6-5-9(8-16-12)14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyZJOHEVMWYCNFER-UHFFFAOYSA-N
XLogP3.63
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
2-[(4-butylphenyl)methoxycarbonylamino]-5-decylthiophene-3-carboxylic acid
CID 22053922
2-(butoxycarbonylamino)-5-octylthiophene-3-carboxylic acid
CID 22053892
6-[(5-methyl-4-propylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 61320020
6-(propylsulfonylamino)pyridine-3-carboxylic acid
CID 61318389
5-decyl-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
CID 22053835
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
6-(3-propan-2-yl-4-propoxyanilino)pyridine-3-carboxylic acid
CID 25006095
2-heptadecylterephthalic acid
CID 19597057

Frequently Asked Questions

What is the IUPAC name of 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid (CID 12862390) is 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid is CCCCc1cc(C(=O)O)c(Nc2ccc(C(=O)O)cn2)s1.
What is the InChIKey of 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZJOHEVMWYCNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-3-4-10-7-11(15(20)21)13(22-10)17-12-6-5-9(8-16-12)14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid?
6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-butyl-3-carboxythiophen-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 12862390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).