N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide

C23H22FN3O4 — CID 174239572

IUPACN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
SMILESCCOc1ccc(-c2cc(F)cc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H22FN3O4/c1-4-31-18-7-5-16(6-8-18)21-11-17(24)12-22(26-21)23(28)27-25-14-15-9-19(29-2)13-20(10-15)30-3/h5-14H,4H2,1-3H3,(H,27,28)
InChIKeyLNSNVNPZCASNGY-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.07
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide (PubChem CID 174239572) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
PubChem CID174239572
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
SMILESCCOc1ccc(-c2cc(F)cc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H22FN3O4/c1-4-31-18-7-5-16(6-8-18)21-11-17(24)12-22(26-21)23(28)27-25-14-15-9-19(29-2)13-20(10-15)30-3/h5-14H,4H2,1-3H3,(H,27,28)
InChIKeyLNSNVNPZCASNGY-UHFFFAOYSA-N
XLogP4.07
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.07
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

N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
CID 167450792
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559849
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(3-fluoro-5-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450863
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide (CID 174239572) is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide is CCOc1ccc(-c2cc(F)cc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide?
The InChIKey is LNSNVNPZCASNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-4-31-18-7-5-16(6-8-18)21-11-17(24)12-22(26-21)23(28)27-25-14-15-9-19(29-2)13-20(10-15)30-3/h5-14H,4H2,1-3H3,(H,27,28).
What are the key properties of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide is sourced from PubChem (CID 174239572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).