4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide

C25H35N7O — CID 137282177

IUPAC4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILES[H]/N=C/C=N\NC(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1C)C(C)C
InChIInChI=1S/C25H35N7O/c1-16(2)23(32-29-14-12-26)20-10-9-19(15-17(20)3)31-24(27)22-21(11-13-28-25(22)33)30-18-7-5-4-6-8-18/h9-16,18,23,26,32H,4-8H2,1-3H3,(H2,27,31)(H2,28,30,33)/b26-12+,29-14-
InChIKeyPDZYDKPFNOMSEB-XQMUGWHUSA-N
MW449.60 g/mol
LogP4.39
Rot. Bonds9

About 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282177) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282177
Molecular FormulaC25H35N7O
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILES[H]/N=C/C=N\NC(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1C)C(C)C
InChIInChI=1S/C25H35N7O/c1-16(2)23(32-29-14-12-26)20-10-9-19(15-17(20)3)31-24(27)22-21(11-13-28-25(22)33)30-18-7-5-4-6-8-18/h9-16,18,23,26,32H,4-8H2,1-3H3,(H2,27,31)(H2,28,30,33)/b26-12+,29-14-
InChIKeyPDZYDKPFNOMSEB-XQMUGWHUSA-N
XLogP4.39
TPSA131.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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'}

Analyze 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282177) is 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide is [H]/N=C/C=N\NC(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1C)C(C)C.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is PDZYDKPFNOMSEB-XQMUGWHUSA-N. The full InChI is InChI=1S/C25H35N7O/c1-16(2)23(32-29-14-12-26)20-10-9-19(15-17(20)3)31-24(27)22-21(11-13-28-25(22)33)30-18-7-5-4-6-8-18/h9-16,18,23,26,32H,4-8H2,1-3H3,(H2,27,31)(H2,28,30,33)/b26-12+,29-14-.
What are the key properties of 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 449.60 g/mol, XLogP of 4.39, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-[1-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-methylpropyl]-3-methylphenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).