N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide

C32H26N6O — CID 139123330

IUPACN-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(c2ccc(/N=C/c3ccccn3)cc2)c2ccc(/N=C/c3ccccn3)cc2)cc1
InChIInChI=1S/C32H26N6O/c1-24(39)37-27-12-18-32(19-13-27)38(30-14-8-25(9-15-30)35-22-28-6-2-4-20-33-28)31-16-10-26(11-17-31)36-23-29-7-3-5-21-34-29/h2-23H,1H3,(H,37,39)/b35-22+,36-23+
InChIKeyMNGJGQPQTUWDCA-DGWFLTEHSA-N
MW510.60 g/mol
LogP7.41
Rot. Bonds8

About N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide

N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide (PubChem CID 139123330) has the molecular formula C32H26N6O and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide
PubChem CID139123330
Molecular FormulaC32H26N6O
Molecular Weight510.60 g/mol
Exact Mass510.22
IUPAC NameN-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(c2ccc(/N=C/c3ccccn3)cc2)c2ccc(/N=C/c3ccccn3)cc2)cc1
InChIInChI=1S/C32H26N6O/c1-24(39)37-27-12-18-32(19-13-27)38(30-14-8-25(9-15-30)35-22-28-6-2-4-20-33-28)31-16-10-26(11-17-31)36-23-29-7-3-5-21-34-29/h2-23H,1H3,(H,37,39)/b35-22+,36-23+
InChIKeyMNGJGQPQTUWDCA-DGWFLTEHSA-N
XLogP7.41
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(acetonitrile);bis(iron(2+));tris(N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide);tetrakis(trifluoromethanesulfonate)
CID 139123329
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
N,N-dimethyl-3-(pyridin-2-ylmethylideneamino)aniline
CID 155931686
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560
N-[4-[(1-acetylindol-3-yl)methylideneamino]phenyl]acetamide
CID 849604
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636
[4-(pyridin-2-ylmethylideneamino)phenyl] 4-hexadecoxybenzoate
CID 132513102
N-[4-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 7125952

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide?
The IUPAC name of N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide (CID 139123330) is N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide is CC(=O)Nc1ccc(N(c2ccc(/N=C/c3ccccn3)cc2)c2ccc(/N=C/c3ccccn3)cc2)cc1.
What is the InChIKey of N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide?
The InChIKey is MNGJGQPQTUWDCA-DGWFLTEHSA-N. The full InChI is InChI=1S/C32H26N6O/c1-24(39)37-27-12-18-32(19-13-27)38(30-14-8-25(9-15-30)35-22-28-6-2-4-20-33-28)31-16-10-26(11-17-31)36-23-29-7-3-5-21-34-29/h2-23H,1H3,(H,37,39)/b35-22+,36-23+.
What are the key properties of N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide?
N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide has a molecular weight of 510.60 g/mol, XLogP of 7.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide is sourced from PubChem (CID 139123330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).