4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide

C25H25N5O4 — CID 155923428

IUPAC4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(C(C)=NNC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H25N5O4/c1-16(27-29-24(31)18-8-12-20(33-3)13-9-18)22-6-5-7-23(26-22)17(2)28-30-25(32)19-10-14-21(34-4)15-11-19/h5-15H,1-4H3,(H,29,31)(H,30,32)
InChIKeyNPIMATVHRKTJRY-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.41
Rot. Bonds8

About 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide

4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide (PubChem CID 155923428) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
PubChem CID155923428
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2cccc(C(C)=NNC(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H25N5O4/c1-16(27-29-24(31)18-8-12-20(33-3)13-9-18)22-6-5-7-23(26-22)17(2)28-30-25(32)19-10-14-21(34-4)15-11-19/h5-15H,1-4H3,(H,29,31)(H,30,32)
InChIKeyNPIMATVHRKTJRY-UHFFFAOYSA-N
XLogP3.41
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.41
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

4-tert-butyl-N-[(E)-1-[6-[(E)-N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 15787905
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide (CID 155923428) is 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide is COc1ccc(C(=O)NN=C(C)c2cccc(C(C)=NNC(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide?
The InChIKey is NPIMATVHRKTJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16(27-29-24(31)18-8-12-20(33-3)13-9-18)22-6-5-7-23(26-22)17(2)28-30-25(32)19-10-14-21(34-4)15-11-19/h5-15H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide?
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide has a molecular weight of 459.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide is sourced from PubChem (CID 155923428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).