4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide

C16H17N3O2S — CID 122246051

IUPAC4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-7-13(22-10-11)16(21)18-9-12-4-5-17-14(8-12)19-6-2-3-15(19)20/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)
InChIKeyMIXFGMMEXPYHOT-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.51
Rot. Bonds4

About 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide

4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 122246051) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID122246051
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-7-13(22-10-11)16(21)18-9-12-4-5-17-14(8-12)19-6-2-3-15(19)20/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21)
InChIKeyMIXFGMMEXPYHOT-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 122246136
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
1-(2,5-dimethylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55742599
2,5-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901608
N-[(3-fluoro-4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39728106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide (CID 122246051) is 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1.
What is the InChIKey of 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is MIXFGMMEXPYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-7-13(22-10-11)16(21)18-9-12-4-5-17-14(8-12)19-6-2-3-15(19)20/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide?
4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122246051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).