N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C18H23N5O3S — CID 155504081

IUPACN-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCc3cnc(C)c(C)c3)CC2=O)s1
InChIInChI=1S/C18H23N5O3S/c1-4-26-10-15-21-22-18(27-15)23-9-14(6-16(23)24)17(25)20-8-13-5-11(2)12(3)19-7-13/h5,7,14H,4,6,8-10H2,1-3H3,(H,20,25)
InChIKeyIGUOPIBMXDQXMZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.76
Rot. Bonds7

About N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 155504081) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID155504081
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(N2CC(C(=O)NCc3cnc(C)c(C)c3)CC2=O)s1
InChIInChI=1S/C18H23N5O3S/c1-4-26-10-15-21-22-18(27-15)23-9-14(6-16(23)24)17(25)20-8-13-5-11(2)12(3)19-7-13/h5,7,14H,4,6,8-10H2,1-3H3,(H,20,25)
InChIKeyIGUOPIBMXDQXMZ-UHFFFAOYSA-N
XLogP1.76
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154565088
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155940666
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155493660
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155505454
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
N-(cyclohexen-1-ylmethyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155501415
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 154820512
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 154569780
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 154564093
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 155498369
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 155504081) is N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(N2CC(C(=O)NCc3cnc(C)c(C)c3)CC2=O)s1.
What is the InChIKey of N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IGUOPIBMXDQXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-4-26-10-15-21-22-18(27-15)23-9-14(6-16(23)24)17(25)20-8-13-5-11(2)12(3)19-7-13/h5,7,14H,4,6,8-10H2,1-3H3,(H,20,25).
What are the key properties of N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155504081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).