N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

C23H22N4O4 — CID 5433955

IUPACN-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccncc3)c2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-15(26-27-23(29)18-7-8-20(30-2)21(14-18)31-3)17-5-4-6-19(13-17)25-22(28)16-9-11-24-12-10-16/h4-14H,1-3H3,(H,25,28)(H,27,29)/b26-15-
InChIKeyIQNIPFVUUMXKKD-YSMPRRRNSA-N
MW418.45 g/mol
LogP3.51
Rot. Bonds7

About N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5433955) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5433955
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccncc3)c2)cc1OC
InChIInChI=1S/C23H22N4O4/c1-15(26-27-23(29)18-7-8-20(30-2)21(14-18)31-3)17-5-4-6-19(13-17)25-22(28)16-9-11-24-12-10-16/h4-14H,1-3H3,(H,25,28)(H,27,29)/b26-15-
InChIKeyIQNIPFVUUMXKKD-YSMPRRRNSA-N
XLogP3.51
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]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-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5433955) is N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccncc3)c2)cc1OC.
What is the InChIKey of N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is IQNIPFVUUMXKKD-YSMPRRRNSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15(26-27-23(29)18-7-8-20(30-2)21(14-18)31-3)17-5-4-6-19(13-17)25-22(28)16-9-11-24-12-10-16/h4-14H,1-3H3,(H,25,28)(H,27,29)/b26-15-.
What are the key properties of N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5433955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).