N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C26H31N5O2S2 — CID 90381302

IUPACN-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C26H31N5O2S2/c32-24(22-14-19-6-11-28-16-23(19)35-22)29-10-2-1-4-18-7-12-31(13-8-18)26(33)21-17-34-25(30-21)20-5-3-9-27-15-20/h3,5-6,9,11,14-16,18,21,25,30H,1-2,4,7-8,10,12-13,17H2,(H,29,32)
InChIKeyUMGJEQIRWMUJCY-UHFFFAOYSA-N
MW509.70 g/mol
LogP4.23
Rot. Bonds8

About N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90381302) has the molecular formula C26H31N5O2S2 and a molecular weight of 509.70 g/mol. Its IUPAC name is N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90381302
Molecular FormulaC26H31N5O2S2
Molecular Weight509.70 g/mol
Exact Mass509.19
IUPAC NameN-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C26H31N5O2S2/c32-24(22-14-19-6-11-28-16-23(19)35-22)29-10-2-1-4-18-7-12-31(13-8-18)26(33)21-17-34-25(30-21)20-5-3-9-27-15-20/h3,5-6,9,11,14-16,18,21,25,30H,1-2,4,7-8,10,12-13,17H2,(H,29,32)
InChIKeyUMGJEQIRWMUJCY-UHFFFAOYSA-N
XLogP4.23
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.70
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90381302) is N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CSC(c3cccnc3)N2)CC1)c1cc2ccncc2s1.
What is the InChIKey of N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UMGJEQIRWMUJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S2/c32-24(22-14-19-6-11-28-16-23(19)35-22)29-10-2-1-4-18-7-12-31(13-8-18)26(33)21-17-34-25(30-21)20-5-3-9-27-15-20/h3,5-6,9,11,14-16,18,21,25,30H,1-2,4,7-8,10,12-13,17H2,(H,29,32).
What are the key properties of N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 509.70 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90381302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).