6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide

C25H27N3O4 — CID 174239575

IUPAC6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCCCOc1ccc(-c2cccc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-5-13-32-20-11-9-19(10-12-20)23-7-6-8-24(27-23)25(29)28-26-17-18-14-21(30-2)16-22(15-18)31-3/h6-12,14-17H,4-5,13H2,1-3H3,(H,28,29)
InChIKeyKECIZGJOOWTYSH-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.71
Rot. Bonds10

About 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide

6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 174239575) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID174239575
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCCCCOc1ccc(-c2cccc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C25H27N3O4/c1-4-5-13-32-20-11-9-19(10-12-20)23-7-6-8-24(27-23)25(29)28-26-17-18-14-21(30-2)16-22(15-18)31-3/h6-12,14-17H,4-5,13H2,1-3H3,(H,28,29)
InChIKeyKECIZGJOOWTYSH-UHFFFAOYSA-N
XLogP4.71
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 167451022
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 167451113
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-pentoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6877912
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559849
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6881094
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
CID 167450792

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 174239575) is 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide is CCCCOc1ccc(-c2cccc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1.
What is the InChIKey of 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is KECIZGJOOWTYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-5-13-32-20-11-9-19(10-12-20)23-7-6-8-24(27-23)25(29)28-26-17-18-14-21(30-2)16-22(15-18)31-3/h6-12,14-17H,4-5,13H2,1-3H3,(H,28,29).
What are the key properties of 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 174239575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).