N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide

C18H21ClN4O2 — CID 137282120

IUPACN'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(Cl)cc1)c1c(NC2CCC(O)CC2)cc[nH]c1=O
InChIInChI=1S/C18H21ClN4O2/c19-11-1-3-13(4-2-11)23-17(20)16-15(9-10-21-18(16)25)22-12-5-7-14(24)8-6-12/h1-4,9-10,12,14,24H,5-8H2,(H2,20,23)(H2,21,22,25)
InChIKeyNGRCSLZKUXIJRL-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.78
Rot. Bonds4

About N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide

N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282120) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282120
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(Cl)cc1)c1c(NC2CCC(O)CC2)cc[nH]c1=O
InChIInChI=1S/C18H21ClN4O2/c19-11-1-3-13(4-2-11)23-17(20)16-15(9-10-21-18(16)25)22-12-5-7-14(24)8-6-12/h1-4,9-10,12,14,24H,5-8H2,(H2,20,23)(H2,21,22,25)
InChIKeyNGRCSLZKUXIJRL-UHFFFAOYSA-N
XLogP2.78
TPSA103.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-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 N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282120) is N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(Cl)cc1)c1c(NC2CCC(O)CC2)cc[nH]c1=O.
What is the InChIKey of N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is NGRCSLZKUXIJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-11-1-3-13(4-2-11)23-17(20)16-15(9-10-21-18(16)25)22-12-5-7-14(24)8-6-12/h1-4,9-10,12,14,24H,5-8H2,(H2,20,23)(H2,21,22,25).
What are the key properties of N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide?
N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 360.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-4-[(4-hydroxycyclohexyl)amino]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).