N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide

C27H25N3O4 — CID 155810801

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc2cc(-c3ccc(C(=O)N/N=C/c4ccc(OC)c(OC)c4)c(C)n3)ccc2c1
InChIInChI=1S/C27H25N3O4/c1-17-23(27(31)30-28-16-18-5-12-25(33-3)26(13-18)34-4)10-11-24(29-17)21-7-6-20-15-22(32-2)9-8-19(20)14-21/h5-16H,1-4H3,(H,30,31)/b28-16+
InChIKeyHQMNAAZKCZQDAM-LQKURTRISA-N
MW455.51 g/mol
LogP5.00
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 155810801) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID155810801
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide
SMILESCOc1ccc2cc(-c3ccc(C(=O)N/N=C/c4ccc(OC)c(OC)c4)c(C)n3)ccc2c1
InChIInChI=1S/C27H25N3O4/c1-17-23(27(31)30-28-16-18-5-12-25(33-3)26(13-18)34-4)10-11-24(29-17)21-7-6-20-15-22(32-2)9-8-19(20)14-21/h5-16H,1-4H3,(H,30,31)/b28-16+
InChIKeyHQMNAAZKCZQDAM-LQKURTRISA-N
XLogP5.00
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
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'}

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Related Compounds

6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
CID 134815918
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2041763
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide (CID 155810801) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide is COc1ccc2cc(-c3ccc(C(=O)N/N=C/c4ccc(OC)c(OC)c4)c(C)n3)ccc2c1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is HQMNAAZKCZQDAM-LQKURTRISA-N. The full InChI is InChI=1S/C27H25N3O4/c1-17-23(27(31)30-28-16-18-5-12-25(33-3)26(13-18)34-4)10-11-24(29-17)21-7-6-20-15-22(32-2)9-8-19(20)14-21/h5-16H,1-4H3,(H,30,31)/b28-16+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-(6-methoxynaphthalen-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 155810801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).