N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide

C17H19N3O3S — CID 30697500

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H19N3O3S/c21-17(9-4-14-3-1-10-18-13-14)19-15-5-7-16(8-6-15)20-11-2-12-24(20,22)23/h1,3,5-8,10,13H,2,4,9,11-12H2,(H,19,21)
InChIKeyJKDVLIFJTWBIDD-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.19
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 30697500) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID30697500
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H19N3O3S/c21-17(9-4-14-3-1-10-18-13-14)19-15-5-7-16(8-6-15)20-11-2-12-24(20,22)23/h1,3,5-8,10,13H,2,4,9,11-12H2,(H,19,21)
InChIKeyJKDVLIFJTWBIDD-UHFFFAOYSA-N
XLogP2.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylpropanamide
CID 7424224
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
CID 110623052
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 51119090
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 52518354
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide (CID 30697500) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is JKDVLIFJTWBIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(9-4-14-3-1-10-18-13-14)19-15-5-7-16(8-6-15)20-11-2-12-24(20,22)23/h1,3,5-8,10,13H,2,4,9,11-12H2,(H,19,21).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 345.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 30697500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).