2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline

C27H36IN4O2P — CID 165136803

IUPAC2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline
SMILES[H]/N=C(\c1ccnc(N2CCC(OC3CCCCC3)CC2)c1)c1cc(OC2(C)CC2)ccc1NPI
InChIInChI=1S/C27H36IN4O2P/c1-27(12-13-27)34-22-7-8-24(31-35-28)23(18-22)26(29)19-9-14-30-25(17-19)32-15-10-21(11-16-32)33-20-5-3-2-4-6-20/h7-9,14,17-18,20-21,29,31,35H,2-6,10-13,15-16H2,1H3/b29-26+
InChIKeyWFAJMYLRANICMY-PBBVDAKRSA-N
MW606.49 g/mol
LogP7.10
Rot. Bonds9

About 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline

2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline (PubChem CID 165136803) has the molecular formula C27H36IN4O2P and a molecular weight of 606.49 g/mol. Its IUPAC name is 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline.

Molecular Properties

Compound Name2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline
PubChem CID165136803
Molecular FormulaC27H36IN4O2P
Molecular Weight606.49 g/mol
Exact Mass606.16
IUPAC Name2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline
SMILES[H]/N=C(\c1ccnc(N2CCC(OC3CCCCC3)CC2)c1)c1cc(OC2(C)CC2)ccc1NPI
InChIInChI=1S/C27H36IN4O2P/c1-27(12-13-27)34-22-7-8-24(31-35-28)23(18-22)26(29)19-9-14-30-25(17-19)32-15-10-21(11-16-32)33-20-5-3-2-4-6-20/h7-9,14,17-18,20-21,29,31,35H,2-6,10-13,15-16H2,1H3/b29-26+
InChIKeyWFAJMYLRANICMY-PBBVDAKRSA-N
XLogP7.10
TPSA70.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.49
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline 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

(3R)-1-[4-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]-2-pyridinyl]pyrrolidin-3-amine
CID 131969524
4-cyclopropyloxy-2-(2-pyrrolidin-1-ylpyridine-4-carboximidoyl)aniline
CID 123493964
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282
6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 139566231
(3S)-1-[4-(2-amino-5-cyclopropyloxybenzenecarboximidoyl)-2-pyridinyl]pyrrolidin-3-ol
CID 131969653
ethane;6-(1-methylcyclopropyl)oxy-4-(2-morpholin-4-ylpyridine-4-carboximidoyl)pyridin-3-amine
CID 144795228
4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
CID 123668060
4-cyclopropyloxy-2-[2-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-4-carboximidoyl]aniline
CID 144697454
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 123882125
2-[2-[(3R)-3-methylpyrrolidin-1-yl]pyridine-4-carboximidoyl]-4-(trifluoromethoxy)aniline
CID 144697617
methyl 4-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 123322073
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
CID 123162749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline?
The IUPAC name of 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline (CID 165136803) is 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline.
What is the SMILES notation for 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline?
The canonical SMILES for 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline is [H]/N=C(\c1ccnc(N2CCC(OC3CCCCC3)CC2)c1)c1cc(OC2(C)CC2)ccc1NPI.
What is the InChIKey of 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline?
The InChIKey is WFAJMYLRANICMY-PBBVDAKRSA-N. The full InChI is InChI=1S/C27H36IN4O2P/c1-27(12-13-27)34-22-7-8-24(31-35-28)23(18-22)26(29)19-9-14-30-25(17-19)32-15-10-21(11-16-32)33-20-5-3-2-4-6-20/h7-9,14,17-18,20-21,29,31,35H,2-6,10-13,15-16H2,1H3/b29-26+.
What are the key properties of 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline?
2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline has a molecular weight of 606.49 g/mol, XLogP of 7.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclohexyloxypiperidin-1-yl)pyridine-4-carboximidoyl]-N-iodophosphanyl-4-(1-methylcyclopropyl)oxyaniline is sourced from PubChem (CID 165136803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).