N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide

C19H17N3O3 — CID 7275569

IUPACN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccncc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-24-15-5-3-13-4-6-18(25-2)17(16(13)11-15)12-21-22-19(23)14-7-9-20-10-8-14/h3-12H,1-2H3,(H,22,23)/b21-12+
InChIKeyAPJBKTPYSCIHAN-CIAFOILYSA-N
MW335.36 g/mol
LogP3.02
Rot. Bonds5

About N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 7275569) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID7275569
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccncc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-24-15-5-3-13-4-6-18(25-2)17(16(13)11-15)12-21-22-19(23)14-7-9-20-10-8-14/h3-12H,1-2H3,(H,22,23)/b21-12+
InChIKeyAPJBKTPYSCIHAN-CIAFOILYSA-N
XLogP3.02
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 2690726
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
1-[(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-3-ethylthiourea
CID 5197013
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide;N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
CID 87141318
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
CID 5402661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (CID 7275569) is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccncc3)c2c1.
What is the InChIKey of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is APJBKTPYSCIHAN-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-15-5-3-13-4-6-18(25-2)17(16(13)11-15)12-21-22-19(23)14-7-9-20-10-8-14/h3-12H,1-2H3,(H,22,23)/b21-12+.
What are the key properties of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 7275569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).