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

C20H18N4O3 — CID 5454909

IUPACN-[4-[(E)-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-YDZHTSKRSA-N
MW362.39 g/mol
LogP3.39
Rot. Bonds5

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

N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5454909) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5454909
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[4-[(E)-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-YDZHTSKRSA-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'}

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Related Compounds

N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6064694
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
CID 6006005
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[4-[N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 3442200
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646
N-[(Z)-1-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 28873113
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5454909) is N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(E)-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-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is ZULJNEKSGOMBTE-YDZHTSKRSA-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-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[4-[(E)-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-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5454909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).