6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C23H28N4O3S — CID 74225797

IUPAC6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1
InChIInChI=1S/C23H28N4O3S/c1-15-4-5-18(22(29)24-11-8-17-3-2-14-31-17)21(25-15)16-9-12-27(13-10-16)23(30)19-6-7-20(28)26-19/h2-5,14,16,19H,6-13H2,1H3,(H,24,29)(H,26,28)/t19-/m0/s1
InChIKeyNJHGYTJPQOYZJR-IBGZPJMESA-N
MW440.57 g/mol
LogP2.41
Rot. Bonds6

About 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 74225797) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID74225797
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1
InChIInChI=1S/C23H28N4O3S/c1-15-4-5-18(22(29)24-11-8-17-3-2-14-31-17)21(25-15)16-9-12-27(13-10-16)23(30)19-6-7-20(28)26-19/h2-5,14,16,19H,6-13H2,1H3,(H,24,29)(H,26,28)/t19-/m0/s1
InChIKeyNJHGYTJPQOYZJR-IBGZPJMESA-N
XLogP2.41
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3757231
6-methyl-N-(2-thiophen-2-ylethyl)-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3804895
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3402659
2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3690110
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3861457
2-[1-[2-(difluoromethoxy)benzoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3744816
methyl (2S)-2-acetamido-4-[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)-2-pyridinyl]piperidin-1-yl]-4-oxobutanoate
CID 74227185
2-[1-[(E)-3-(4,5-dimethylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 6116627
2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3809794
2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3798524
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 74225797) is 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)n1.
What is the InChIKey of 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is NJHGYTJPQOYZJR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-4-5-18(22(29)24-11-8-17-3-2-14-31-17)21(25-15)16-9-12-27(13-10-16)23(30)19-6-7-20(28)26-19/h2-5,14,16,19H,6-13H2,1H3,(H,24,29)(H,26,28)/t19-/m0/s1.
What are the key properties of 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 74225797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).