N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide

C18H26N4O2 — CID 2875252

IUPACN'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)14-6-8-15(9-7-14)21-22-17(24)16(23)20-12-13-5-4-10-19-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyAESLWXVKADSMIK-QNGOZBTKSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds3

About N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide

N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 2875252) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID2875252
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)14-6-8-15(9-7-14)21-22-17(24)16(23)20-12-13-5-4-10-19-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,23)(H,22,24)/b21-15-
InChIKeyAESLWXVKADSMIK-QNGOZBTKSA-N
XLogP2.41
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide 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-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide (CID 2875252) is N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide is CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2cccnc2)CC1.
What is the InChIKey of N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is AESLWXVKADSMIK-QNGOZBTKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)14-6-8-15(9-7-14)21-22-17(24)16(23)20-12-13-5-4-10-19-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,23)(H,22,24)/b21-15-.
What are the key properties of N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 330.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylcyclohexylidene)amino]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 2875252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).