N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C24H34N4O3S — CID 129142612

IUPACN-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C1NCOC1C(=O)N1CCC(CCCCNC(=O)c2cc3ccncc3s2)CC1
InChIInChI=1S/C24H34N4O3S/c1-16(2)21-22(31-15-27-21)24(30)28-11-7-17(8-12-28)5-3-4-9-26-23(29)19-13-18-6-10-25-14-20(18)32-19/h6,10,13-14,16-17,21-22,27H,3-5,7-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyNNQICALCJVMBJG-UHFFFAOYSA-N
MW458.63 g/mol
LogP3.41
Rot. Bonds8

About N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 129142612) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID129142612
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)C1NCOC1C(=O)N1CCC(CCCCNC(=O)c2cc3ccncc3s2)CC1
InChIInChI=1S/C24H34N4O3S/c1-16(2)21-22(31-15-27-21)24(30)28-11-7-17(8-12-28)5-3-4-9-26-23(29)19-13-18-6-10-25-14-20(18)32-19/h6,10,13-14,16-17,21-22,27H,3-5,7-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyNNQICALCJVMBJG-UHFFFAOYSA-N
XLogP3.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 129142612) is N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is CC(C)C1NCOC1C(=O)N1CCC(CCCCNC(=O)c2cc3ccncc3s2)CC1.
What is the InChIKey of N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is NNQICALCJVMBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-16(2)21-22(31-15-27-21)24(30)28-11-7-17(8-12-28)5-3-4-9-26-23(29)19-13-18-6-10-25-14-20(18)32-19/h6,10,13-14,16-17,21-22,27H,3-5,7-9,11-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 458.63 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 129142612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).