2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide

C21H21N5O3 — CID 24514111

IUPAC2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H21N5O3/c1-14-19(26-13-4-2-6-17(26)22-14)21(29)24-23-20(28)15-8-10-16(11-9-15)25-12-5-3-7-18(25)27/h2,4,6,8-11,13H,3,5,7,12H2,1H3,(H,23,28)(H,24,29)
InChIKeyWBDHZSLWIVDLES-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.23
Rot. Bonds3

About 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide

2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24514111) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID24514111
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C21H21N5O3/c1-14-19(26-13-4-2-6-17(26)22-14)21(29)24-23-20(28)15-8-10-16(11-9-15)25-12-5-3-7-18(25)27/h2,4,6,8-11,13H,3,5,7,12H2,1H3,(H,23,28)(H,24,29)
InChIKeyWBDHZSLWIVDLES-UHFFFAOYSA-N
XLogP2.23
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51248036
N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 18108449
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
2-methyl-N'-(9-oxofluorene-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24619999
N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
CID 18121150
3-(dimethylamino)-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 35768592
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 7479792
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide (CID 24514111) is 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is WBDHZSLWIVDLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-19(26-13-4-2-6-17(26)22-14)21(29)24-23-20(28)15-8-10-16(11-9-15)25-12-5-3-7-18(25)27/h2,4,6,8-11,13H,3,5,7,12H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide?
2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 391.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24514111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).