1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H24ClN5O3 — CID 55816268

IUPAC1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H24ClN5O3/c1-14-6-9-23-18(12-14)24-20(29)15-7-10-27(11-8-15)13-19(28)25-26-21(30)16-4-2-3-5-17(16)22/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,28)(H,26,30)(H,23,24,29)
InChIKeyIENQAFZQNHVTQZ-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55816268) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55816268
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC Name1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H24ClN5O3/c1-14-6-9-23-18(12-14)24-20(29)15-7-10-27(11-8-15)13-19(28)25-26-21(30)16-4-2-3-5-17(16)22/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,28)(H,26,30)(H,23,24,29)
InChIKeyIENQAFZQNHVTQZ-UHFFFAOYSA-N
XLogP2.16
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816301
1-[(6-fluoroquinolin-8-yl)methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55923455
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 47205485
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
1-[3-(4-carbamoylanilino)-3-oxopropyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525101
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55816268) is 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is IENQAFZQNHVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-14-6-9-23-18(12-14)24-20(29)15-7-10-27(11-8-15)13-19(28)25-26-21(30)16-4-2-3-5-17(16)22/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,28)(H,26,30)(H,23,24,29).
What are the key properties of 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55816268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).