(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

C19H13ClN3OS+ — CID 4751820

IUPAC(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc[nH+]c3)ccc12
InChIInChI=1S/C19H12ClN3OS/c20-13-5-3-11(4-6-13)17(24)18-16(21)14-7-8-15(23-19(14)25-18)12-2-1-9-22-10-12/h1-10H,21H2/p+1
InChIKeyKZOQUWHHUUQEEL-UHFFFAOYSA-O
MW366.85 g/mol
LogP4.24
Rot. Bonds3

About (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone

(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (PubChem CID 4751820) has the molecular formula C19H13ClN3OS+ and a molecular weight of 366.85 g/mol. Its IUPAC name is (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
PubChem CID4751820
Molecular FormulaC19H13ClN3OS+
Molecular Weight366.85 g/mol
Exact Mass366.05
IUPAC Name(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc[nH+]c3)ccc12
InChIInChI=1S/C19H12ClN3OS/c20-13-5-3-11(4-6-13)17(24)18-16(21)14-7-8-15(23-19(14)25-18)12-2-1-9-22-10-12/h1-10H,21H2/p+1
InChIKeyKZOQUWHHUUQEEL-UHFFFAOYSA-O
XLogP4.24
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone with MolForge

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Related Compounds

ethyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 4294749
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
4-[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carbonyl]-3-phenyloxadiazol-3-ium-5-olate
CID 53296417
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23914363
(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone
CID 165351345
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 14113060
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone (CID 4751820) is (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc[nH+]c3)ccc12.
What is the InChIKey of (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
The InChIKey is KZOQUWHHUUQEEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H12ClN3OS/c20-13-5-3-11(4-6-13)17(24)18-16(21)14-7-8-15(23-19(14)25-18)12-2-1-9-22-10-12/h1-10H,21H2/p+1.
What are the key properties of (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone?
(3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone has a molecular weight of 366.85 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 4751820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).