2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide

C19H21N3O3S — CID 55997100

IUPAC2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)ccn1
InChIInChI=1S/C19H21N3O3S/c1-3-26-17-11-13(8-9-20-17)19(24)21-14-6-7-15(16(12-14)25-2)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyJSSIPZDPMILLBZ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.58
Rot. Bonds6

About 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide

2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 55997100) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID55997100
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)ccn1
InChIInChI=1S/C19H21N3O3S/c1-3-26-17-11-13(8-9-20-17)19(24)21-14-6-7-15(16(12-14)25-2)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,24)
InChIKeyJSSIPZDPMILLBZ-UHFFFAOYSA-N
XLogP3.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
4-(diethylaminomethyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55645760
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide (CID 55997100) is 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide is CCSc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is JSSIPZDPMILLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-26-17-11-13(8-9-20-17)19(24)21-14-6-7-15(16(12-14)25-2)22-10-4-5-18(22)23/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,24).
What are the key properties of 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide?
2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55997100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).