N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide

C23H22N4O5 — CID 155805407

IUPACN-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O5/c1-30-19-12-15(13-20(31-2)21(19)32-3)14-25-27-22(28)16-7-9-17(10-8-16)26-23(29)18-6-4-5-11-24-18/h4-14H,1-3H3,(H,26,29)(H,27,28)/b25-14+
InChIKeyOVZWGUVMMCYXAV-AFUMVMLFSA-N
MW434.45 g/mol
LogP3.12
Rot. Bonds8

About N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide

N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 155805407) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
PubChem CID155805407
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O5/c1-30-19-12-15(13-20(31-2)21(19)32-3)14-25-27-22(28)16-7-9-17(10-8-16)26-23(29)18-6-4-5-11-24-18/h4-14H,1-3H3,(H,26,29)(H,27,28)/b25-14+
InChIKeyOVZWGUVMMCYXAV-AFUMVMLFSA-N
XLogP3.12
TPSA111.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[4-[[(Z)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435606
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
[4-[(E)-[(4-benzamidobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 3,4,5-trimethoxybenzoate
CID 124544586
3-nitro-N-[4-[[(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 171135919
N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide (CID 155805407) is N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide is COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is OVZWGUVMMCYXAV-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-30-19-12-15(13-20(31-2)21(19)32-3)14-25-27-22(28)16-7-9-17(10-8-16)26-23(29)18-6-4-5-11-24-18/h4-14H,1-3H3,(H,26,29)(H,27,28)/b25-14+.
What are the key properties of N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 155805407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).