N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

C24H26N4O4S — CID 68753075

IUPACN-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCS(=O)(=O)C3)CC2)cn1)N1Cc2ccccc2C1
InChIInChI=1S/C24H26N4O4S/c29-23(21-9-12-33(31,32)16-21)27-10-7-17(8-11-27)18-5-6-22(25-13-18)26-24(30)28-14-19-3-1-2-4-20(19)15-28/h1-7,13,21H,8-12,14-16H2,(H,25,26,30)
InChIKeyGLPDHNLRPGRNGO-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.68
Rot. Bonds3

About N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide

N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 68753075) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID68753075
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
SMILESO=C(Nc1ccc(C2=CCN(C(=O)C3CCS(=O)(=O)C3)CC2)cn1)N1Cc2ccccc2C1
InChIInChI=1S/C24H26N4O4S/c29-23(21-9-12-33(31,32)16-21)27-10-7-17(8-11-27)18-5-6-22(25-13-18)26-24(30)28-14-19-3-1-2-4-20(19)15-28/h1-7,13,21H,8-12,14-16H2,(H,25,26,30)
InChIKeyGLPDHNLRPGRNGO-UHFFFAOYSA-N
XLogP2.68
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide (CID 68753075) is N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is O=C(Nc1ccc(C2=CCN(C(=O)C3CCS(=O)(=O)C3)CC2)cn1)N1Cc2ccccc2C1.
What is the InChIKey of N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is GLPDHNLRPGRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c29-23(21-9-12-33(31,32)16-21)27-10-7-17(8-11-27)18-5-6-22(25-13-18)26-24(30)28-14-19-3-1-2-4-20(19)15-28/h1-7,13,21H,8-12,14-16H2,(H,25,26,30).
What are the key properties of N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide?
N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1,1-dioxothiolane-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 68753075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).