N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C16H19N5O2S — CID 72866827

IUPACN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C16H19N5O2S/c1-11-14(24-19-18-11)10-20(2)16(23)13-6-15(22)21(9-13)8-12-4-3-5-17-7-12/h3-5,7,13H,6,8-10H2,1-2H3
InChIKeyFWBAITLKSBPVGL-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.25
Rot. Bonds5

About N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72866827) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72866827
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C16H19N5O2S/c1-11-14(24-19-18-11)10-20(2)16(23)13-6-15(22)21(9-13)8-12-4-3-5-17-7-12/h3-5,7,13H,6,8-10H2,1-2H3
InChIKeyFWBAITLKSBPVGL-UHFFFAOYSA-N
XLogP1.25
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 70773722
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
(3R)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97207374
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97210504
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97192154
(3R)-N-methyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 96577692
N-methyl-5-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 72873471
(3R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97276315
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280706
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131915151

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 72866827) is N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is Cc1nnsc1CN(C)C(=O)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is FWBAITLKSBPVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11-14(24-19-18-11)10-20(2)16(23)13-6-15(22)21(9-13)8-12-4-3-5-17-7-12/h3-5,7,13H,6,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72866827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).