N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide

C20H18N4O3 — CID 6156074

IUPACN-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(23-24-20(26)18-9-12-27-14(18)2)15-3-5-17(6-4-15)22-19(25)16-7-10-21-11-8-16/h3-12H,1-2H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyZULJNEKSGOMBTE-QRVIBDJDSA-N
MW362.39 g/mol
LogP3.39
Rot. Bonds5

About N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide

N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 6156074) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID6156074
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(23-24-20(26)18-9-12-27-14(18)2)15-3-5-17(6-4-15)22-19(25)16-7-10-21-11-8-16/h3-12H,1-2H3,(H,22,25)(H,24,26)/b23-13-
InChIKeyZULJNEKSGOMBTE-QRVIBDJDSA-N
XLogP3.39
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide 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-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (CID 6156074) is N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is ZULJNEKSGOMBTE-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(23-24-20(26)18-9-12-27-14(18)2)15-3-5-17(6-4-15)22-19(25)16-7-10-21-11-8-16/h3-12H,1-2H3,(H,22,25)(H,24,26)/b23-13-.
What are the key properties of N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 6156074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).