N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide

C27H23N3O3 — CID 3663554

IUPACN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C27H23N3O3/c31-27(24-13-15-28-16-14-24)30-29-18-23-11-12-25(32-19-21-7-3-1-4-8-21)26(17-23)33-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,31)
InChIKeyWHGXZOAQPMRTJD-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.00
Rot. Bonds9

About N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide

N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 3663554) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID3663554
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C27H23N3O3/c31-27(24-13-15-28-16-14-24)30-29-18-23-11-12-25(32-19-21-7-3-1-4-8-21)26(17-23)33-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,31)
InChIKeyWHGXZOAQPMRTJD-UHFFFAOYSA-N
XLogP5.00
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.00
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-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070788
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 9359209
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 19183031

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide (CID 3663554) is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccncc1.
What is the InChIKey of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is WHGXZOAQPMRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-27(24-13-15-28-16-14-24)30-29-18-23-11-12-25(32-19-21-7-3-1-4-8-21)26(17-23)33-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,31).
What are the key properties of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 3663554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).