4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide

C20H24N6O3S — CID 76551991

IUPAC4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide
SMILESCc1csc(C2CCCN2C(=O)c2cc(C(=O)NN)nc(N3CCCCC3=O)c2)n1
InChIInChI=1S/C20H24N6O3S/c1-12-11-30-19(22-12)15-5-4-8-25(15)20(29)13-9-14(18(28)24-21)23-16(10-13)26-7-3-2-6-17(26)27/h9-11,15H,2-8,21H2,1H3,(H,24,28)
InChIKeyMNAKFYUNUQNSPP-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.94
Rot. Bonds4

About 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide

4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide (PubChem CID 76551991) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide
PubChem CID76551991
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide
SMILESCc1csc(C2CCCN2C(=O)c2cc(C(=O)NN)nc(N3CCCCC3=O)c2)n1
InChIInChI=1S/C20H24N6O3S/c1-12-11-30-19(22-12)15-5-4-8-25(15)20(29)13-9-14(18(28)24-21)23-16(10-13)26-7-3-2-6-17(26)27/h9-11,15H,2-8,21H2,1H3,(H,24,28)
InChIKeyMNAKFYUNUQNSPP-UHFFFAOYSA-N
XLogP1.94
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-methyl-1-[2-[4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67515217
2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
CID 68671050
tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate
CID 76552114
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxylate
CID 57496019
methyl 3-formyl-5-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzoate
CID 57496021
methyl 3-(methylsulfonylmethylamino)-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzoate
CID 66777082
[4-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762290
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67514600
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
[(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
CID 67515096

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide (CID 76551991) is 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide is Cc1csc(C2CCCN2C(=O)c2cc(C(=O)NN)nc(N3CCCCC3=O)c2)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide?
The InChIKey is MNAKFYUNUQNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-12-11-30-19(22-12)15-5-4-8-25(15)20(29)13-9-14(18(28)24-21)23-16(10-13)26-7-3-2-6-17(26)27/h9-11,15H,2-8,21H2,1H3,(H,24,28).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide?
4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide has a molecular weight of 428.52 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopiperidin-1-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 76551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).