N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

C26H29N3O4 — CID 6102913

IUPACN-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCC(C)c1ccccc1OCCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-4-19(2)22-7-5-6-8-23(22)32-15-16-33-24-10-9-20(17-25(24)31-3)18-28-29-26(30)21-11-13-27-14-12-21/h5-14,17-19H,4,15-16H2,1-3H3,(H,29,30)/b28-18-
InChIKeyNRCCGLWIWBCICC-VEILYXNESA-N
MW447.54 g/mol
LogP4.83
Rot. Bonds11

About N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6102913) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID6102913
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCC(C)c1ccccc1OCCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C26H29N3O4/c1-4-19(2)22-7-5-6-8-23(22)32-15-16-33-24-10-9-20(17-25(24)31-3)18-28-29-26(30)21-11-13-27-14-12-21/h5-14,17-19H,4,15-16H2,1-3H3,(H,29,30)/b28-18-
InChIKeyNRCCGLWIWBCICC-VEILYXNESA-N
XLogP4.83
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.83
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

N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4004160
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6909357
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514772
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 4011068
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 3666073

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (CID 6102913) is N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is CCC(C)c1ccccc1OCCOc1ccc(/C=N\NC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is NRCCGLWIWBCICC-VEILYXNESA-N. The full InChI is InChI=1S/C26H29N3O4/c1-4-19(2)22-7-5-6-8-23(22)32-15-16-33-24-10-9-20(17-25(24)31-3)18-28-29-26(30)21-11-13-27-14-12-21/h5-14,17-19H,4,15-16H2,1-3H3,(H,29,30)/b28-18-.
What are the key properties of N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6102913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).