5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid

C14H12N2O3S — CID 63153547

IUPAC5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C14H12N2O3S/c17-13(12-5-8-2-1-3-11(8)20-12)16-10-4-9(14(18)19)6-15-7-10/h4-7H,1-3H2,(H,16,17)(H,18,19)
InChIKeyITXJGWDGCHIMDZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.58
Rot. Bonds3

About 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid

5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 63153547) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid
PubChem CID63153547
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C14H12N2O3S/c17-13(12-5-8-2-1-3-11(8)20-12)16-10-4-9(14(18)19)6-15-7-10/h4-7H,1-3H2,(H,16,17)(H,18,19)
InChIKeyITXJGWDGCHIMDZ-UHFFFAOYSA-N
XLogP2.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 146089634
3-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-methylsulfonylbenzoic acid
CID 119257670
N-pyridin-3-yl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 1247581
N-(3-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7959040
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
CID 61406156
N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8780534
N-(4-methylsulfanylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9153937
N-[3-[methyl(phenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167834049
N-(6-phenoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 56799313
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-3-pyridinyl)methanone
CID 115791727
N-[4-(hydroxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792801
N-[4-(2-chloroethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114299179

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid (CID 63153547) is 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cc3c(s2)CCC3)c1.
What is the InChIKey of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is ITXJGWDGCHIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(12-5-8-2-1-3-11(8)20-12)16-10-4-9(14(18)19)6-15-7-10/h4-7H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid?
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63153547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).