[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate

C27H18N2O3 — CID 23411845

IUPAC[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C27H18N2O3/c30-27(20-9-6-16-28-18-20)31-22-14-12-21(13-15-22)29-24-17-26(19-7-2-1-3-8-19)32-25-11-5-4-10-23(24)25/h1-18H/b29-24+
InChIKeyWUVXOORPQWXHBJ-RMLRFSFXSA-N
MW418.45 g/mol
LogP5.95
Rot. Bonds4

About [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate

[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate (PubChem CID 23411845) has the molecular formula C27H18N2O3 and a molecular weight of 418.45 g/mol. Its IUPAC name is [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate
PubChem CID23411845
Molecular FormulaC27H18N2O3
Molecular Weight418.45 g/mol
Exact Mass418.13
IUPAC Name[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc23)cc1)c1cccnc1
InChIInChI=1S/C27H18N2O3/c30-27(20-9-6-16-28-18-20)31-22-14-12-21(13-15-22)29-24-17-26(19-7-2-1-3-8-19)32-25-11-5-4-10-23(24)25/h1-18H/b29-24+
InChIKeyWUVXOORPQWXHBJ-RMLRFSFXSA-N
XLogP5.95
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506708
[4-(8-fluoro-4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506613
[4-(4,8-dioxo-5H-pyrano[3,2-b]pyridin-2-yl)phenyl] pyridine-3-carboxylate
CID 140506802
3-(2-phenyl-1-benzofuran-4-yl)pyridine
CID 132511455
[4-oxo-3-(4-phenylphenoxy)chromen-7-yl] pyridine-3-carboxylate
CID 2245682
[4-(3,8-dioxo-4H-pyrano[2,3-b]pyrazin-6-yl)phenyl] pyridine-3-carboxylate
CID 140506791
N-(4-oxo-2-phenylchromen-6-yl)pyridine-3-carboxamide
CID 18568664
[4-[(4-decoxyphenyl)diazenyl]phenyl] pyridine-3-carboxylate
CID 101147347
[4-[2-[4-(pyridine-3-carbonyloxy)phenyl]propan-2-yl]phenyl] pyridine-3-carboxylate
CID 143295280
[4-(trifluoromethyl)phenyl] pyridine-3-carboxylate
CID 144826285
[3-(ethoxycarbonylamino)-5-fluoro-4-(4-oxochromen-2-yl)phenyl] pyridine-3-carboxylate
CID 140506704
2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate (CID 23411845) is [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate is O=C(Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccccc23)cc1)c1cccnc1.
What is the InChIKey of [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate?
The InChIKey is WUVXOORPQWXHBJ-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H18N2O3/c30-27(20-9-6-16-28-18-20)31-22-14-12-21(13-15-22)29-24-17-26(19-7-2-1-3-8-19)32-25-11-5-4-10-23(24)25/h1-18H/b29-24+.
What are the key properties of [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate?
[4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenylchromen-4-ylidene)amino]phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 23411845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).