2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C20H31N5O2 — CID 52534598

IUPAC2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(\N)c1cccnc1N1CCCCC1
InChIInChI=1S/C20H31N5O2/c1-15-8-3-4-10-17(15)23-18(26)14-27-24-19(21)16-9-7-11-22-20(16)25-12-5-2-6-13-25/h7,9,11,15,17H,2-6,8,10,12-14H2,1H3,(H2,21,24)(H,23,26)/t15-,17-/m1/s1
InChIKeyWERMIBOJTGBQGF-NVXWUHKLSA-N
MW373.50 g/mol
LogP2.40
Rot. Bonds6

About 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 52534598) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID52534598
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(\N)c1cccnc1N1CCCCC1
InChIInChI=1S/C20H31N5O2/c1-15-8-3-4-10-17(15)23-18(26)14-27-24-19(21)16-9-7-11-22-20(16)25-12-5-2-6-13-25/h7,9,11,15,17H,2-6,8,10,12-14H2,1H3,(H2,21,24)(H,23,26)/t15-,17-/m1/s1
InChIKeyWERMIBOJTGBQGF-NVXWUHKLSA-N
XLogP2.40
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
CID 75264379
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428743
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428741
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9372400
methyl 5-[[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxymethyl]furan-2-carboxylate
CID 76878083
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 11926362
N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 97009230
2-[(Z)-(1-amino-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 126817139

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 52534598) is 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C(\N)c1cccnc1N1CCCCC1.
What is the InChIKey of 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is WERMIBOJTGBQGF-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15-8-3-4-10-17(15)23-18(26)14-27-24-19(21)16-9-7-11-22-20(16)25-12-5-2-6-13-25/h7,9,11,15,17H,2-6,8,10,12-14H2,1H3,(H2,21,24)(H,23,26)/t15-,17-/m1/s1.
What are the key properties of 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 52534598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).