N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

C25H27N3O3 — CID 110514701

IUPACN-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)21-8-5-18(6-9-21)17-31-22-10-7-19(15-23(22)30-4)16-27-28-24(29)20-11-13-26-14-12-20/h5-16H,17H2,1-4H3,(H,28,29)/b27-16-
InChIKeyHFSBOSMYGROFNR-YUMHPJSZSA-N
MW417.51 g/mol
LogP4.73
Rot. Bonds7

About N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 110514701) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID110514701
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)21-8-5-18(6-9-21)17-31-22-10-7-19(15-23(22)30-4)16-27-28-24(29)20-11-13-26-14-12-20/h5-16H,17H2,1-4H3,(H,28,29)/b27-16-
InChIKeyHFSBOSMYGROFNR-YUMHPJSZSA-N
XLogP4.73
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.73
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)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 110505817
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 9015156
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(Z)-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514723
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514772
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide (CID 110514701) is N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is HFSBOSMYGROFNR-YUMHPJSZSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,3)21-8-5-18(6-9-21)17-31-22-10-7-19(15-23(22)30-4)16-27-28-24(29)20-11-13-26-14-12-20/h5-16H,17H2,1-4H3,(H,28,29)/b27-16-.
What are the key properties of N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 110514701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).