6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid

C17H17N3O4S — CID 119182545

IUPAC6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1)c1ccsc1
InChIInChI=1S/C17H17N3O4S/c21-15(11-6-9-25-10-11)18-12-4-7-20(8-5-12)16(22)13-2-1-3-14(19-13)17(23)24/h1-3,6,9-10,12H,4-5,7-8H2,(H,18,21)(H,23,24)
InChIKeyCBGWEUVWMNVQMD-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.88
Rot. Bonds4

About 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid

6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119182545) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119182545
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1)c1ccsc1
InChIInChI=1S/C17H17N3O4S/c21-15(11-6-9-25-10-11)18-12-4-7-20(8-5-12)16(22)13-2-1-3-14(19-13)17(23)24/h1-3,6,9-10,12H,4-5,7-8H2,(H,18,21)(H,23,24)
InChIKeyCBGWEUVWMNVQMD-UHFFFAOYSA-N
XLogP1.88
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
N-[1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578287
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 56513205
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934

Frequently Asked Questions

What is the IUPAC name of 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119182545) is 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1)c1ccsc1.
What is the InChIKey of 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is CBGWEUVWMNVQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-15(11-6-9-25-10-11)18-12-4-7-20(8-5-12)16(22)13-2-1-3-14(19-13)17(23)24/h1-3,6,9-10,12H,4-5,7-8H2,(H,18,21)(H,23,24).
What are the key properties of 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 359.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).