2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide

C85H86ClN17O15S6 — CID 159330785

About 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide

2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 159330785) has the molecular formula C85H86ClN17O15S6 and a molecular weight of 1813.58 g/mol. Its IUPAC name is 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide
• PubChem CID: 159330785
• Molecular Formula: C85H86ClN17O15S6
• Molecular Weight: 1813.58 g/mol
• Exact Mass: 1811.45
• IUPAC Name: 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide
• SMILES: C=C(NC)c1ccsc1NC(=O)c1ccnc(CC(C)=O)c1.C=S(C)(=O)c1ccsc1NC(=O)c1ccnc(CC(C)=O)c1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)N2CCCCC2)ccn1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)N2CCOCC2)ccn1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cc2)ccn1
• InChI: InChI=1S/C19H15ClN4O3S.C18H20N4O3S.C17H18N4O4S.C16H17N3O2S.C15H16N2O3S2/c1-11(25)22-16-10-12(6-8-21-16)17(26)24-19-15(7-9-28-19)18(27)23-14-4-2-13(20)3-5-14;1-12(23)20-15-11-13(5-7-19-15)16(24)21-17-14(6-10-26-17)18(25)22-8-3-2-4-9-22;1-11(22)19-14-10-12(2-4-18-14)15(23)20-16-13(3-9-26-16)17(24)21-5-7-25-8-6-21;1-10(20)8-13-9-12(4-6-18-13)15(21)19-16-14(5-7-22-16)11(2)17-3;1-10(18)8-12-9-11(4-6-16-12)14(19)17-15-13(5-7-21-15)22(2,3)20/h2-10H,1H3,(H,23,27)(H,24,26)(H,21,22,25);5-7,10-11H,2-4,8-9H2,1H3,(H,21,24)(H,19,20,23);2-4,9-10H,5-8H2,1H3,(H,20,23)(H,18,19,22);4-7,9,17H,2,8H2,1,3H3,(H,19,21);4-7,9H,2,8H2,1,3H3,(H,17,19)
• InChIKey: LEYHLSVMHQDZLC-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 439.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.58
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide?

The IUPAC name of 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide (CID 159330785) is 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide.

What is the SMILES notation for 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide?

The canonical SMILES for 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide is C=C(NC)c1ccsc1NC(=O)c1ccnc(CC(C)=O)c1.C=S(C)(=O)c1ccsc1NC(=O)c1ccnc(CC(C)=O)c1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)N2CCCCC2)ccn1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)N2CCOCC2)ccn1.CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cc2)ccn1.

What is the InChIKey of 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide?

The InChIKey is LEYHLSVMHQDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S.C18H20N4O3S.C17H18N4O4S.C16H17N3O2S.C15H16N2O3S2/c1-11(25)22-16-10-12(6-8-21-16)17(26)24-19-15(7-9-28-19)18(27)23-14-4-2-13(20)3-5-14;1-12(23)20-15-11-13(5-7-19-15)16(24)21-17-14(6-10-26-17)18(25)22-8-3-2-4-9-22;1-11(22)19-14-10-12(2-4-18-14)15(23)20-16-13(3-9-26-16)17(24)21-5-7-25-8-6-21;1-10(20)8-13-9-12(4-6-18-13)15(21)19-16-14(5-7-22-16)11(2)17-3;1-10(18)8-12-9-11(4-6-16-12)14(19)17-15-13(5-7-21-15)22(2,3)20/h2-10H,1H3,(H,23,27)(H,24,26)(H,21,22,25);5-7,10-11H,2-4,8-9H2,1H3,(H,21,24)(H,19,20,23);2-4,9-10H,5-8H2,1H3,(H,20,23)(H,18,19,22);4-7,9,17H,2,8H2,1,3H3,(H,19,21);4-7,9H,2,8H2,1,3H3,(H,17,19).

What are the key properties of 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide?

2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 1813.58 g/mol, XLogP of 14.01, 24 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[3-[(4-chlorophenyl)carbamoyl]thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(piperidine-1-carbonyl)thiophen-2-yl]pyridine-4-carboxamide;N-[3-[1-(methylamino)ethenyl]thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide;N-[3-(methyl-methylidene-oxo-λ6-sulfanyl)thiophen-2-yl]-2-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 159330785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).