4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide

C24H32N6O2 — CID 91256189

IUPAC4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide
SMILESCO/N=C\c1c(N2CCN(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)ccnc1N
InChIInChI=1S/C24H32N6O2/c1-32-27-17-21-22(11-12-26-23(21)25)29-13-15-30(16-14-29)24(31)28-20-9-7-19(8-10-20)18-5-3-2-4-6-18/h7-12,17-18H,2-6,13-16H2,1H3,(H2,25,26)(H,28,31)/b27-17-
InChIKeyOEYCPTWQTBKBRO-PKAZHMFMSA-N
MW436.56 g/mol
LogP4.05
Rot. Bonds5

About 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide

4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide (PubChem CID 91256189) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide
PubChem CID91256189
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide
SMILESCO/N=C\c1c(N2CCN(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)ccnc1N
InChIInChI=1S/C24H32N6O2/c1-32-27-17-21-22(11-12-26-23(21)25)29-13-15-30(16-14-29)24(31)28-20-9-7-19(8-10-20)18-5-3-2-4-6-18/h7-12,17-18H,2-6,13-16H2,1H3,(H2,25,26)(H,28,31)/b27-17-
InChIKeyOEYCPTWQTBKBRO-PKAZHMFMSA-N
XLogP4.05
TPSA96.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;ethane
CID 143371559
4-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 73175750
4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 12004372
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
N-(4-cyclohexylphenyl)-5-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 58794091
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
CID 90854842
methyl 4-[[4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780223
N-[(1S)-1-cyclohexylethyl]-4-[4-[(2-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]piperidine-1-carboxamide
CID 171673722

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide (CID 91256189) is 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide is CO/N=C\c1c(N2CCN(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)ccnc1N.
What is the InChIKey of 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide?
The InChIKey is OEYCPTWQTBKBRO-PKAZHMFMSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-32-27-17-21-22(11-12-26-23(21)25)29-13-15-30(16-14-29)24(31)28-20-9-7-19(8-10-20)18-5-3-2-4-6-18/h7-12,17-18H,2-6,13-16H2,1H3,(H2,25,26)(H,28,31)/b27-17-.
What are the key properties of 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide?
4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-[(Z)-methoxyiminomethyl]-4-pyridinyl]-N-(4-cyclohexylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91256189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).