(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H24N6O3 — CID 97006497

IUPAC(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)C2)nc1
InChIInChI=1S/C22H24N6O3/c1-15-7-8-19(24-12-15)25-21(30)18-6-3-9-28(13-18)14-20(29)26-27-22(31)17-5-2-4-16(10-17)11-23/h2,4-5,7-8,10,12,18H,3,6,9,13-14H2,1H3,(H,26,29)(H,27,31)(H,24,25,30)/t18-/m1/s1
InChIKeyICFMTIMVRICCQV-GOSISDBHSA-N
MW420.47 g/mol
LogP1.37
Rot. Bonds5

About (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 97006497) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID97006497
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)C2)nc1
InChIInChI=1S/C22H24N6O3/c1-15-7-8-19(24-12-15)25-21(30)18-6-3-9-28(13-18)14-20(29)26-27-22(31)17-5-2-4-16(10-17)11-23/h2,4-5,7-8,10,12,18H,3,6,9,13-14H2,1H3,(H,26,29)(H,27,31)(H,24,25,30)/t18-/m1/s1
InChIKeyICFMTIMVRICCQV-GOSISDBHSA-N
XLogP1.37
TPSA127.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 96567281
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
N-(5-bromo-2-pyridinyl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856982
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 97006497) is (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)C2)nc1.
What is the InChIKey of (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is ICFMTIMVRICCQV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15-7-8-19(24-12-15)25-21(30)18-6-3-9-28(13-18)14-20(29)26-27-22(31)17-5-2-4-16(10-17)11-23/h2,4-5,7-8,10,12,18H,3,6,9,13-14H2,1H3,(H,26,29)(H,27,31)(H,24,25,30)/t18-/m1/s1.
What are the key properties of (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 97006497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).