N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide

C30H21ClN2OSe2 — CID 169094448

IUPACN-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1c([Se]c2ccccc2)cc(Cl)cc1[Se]c1ccccc1)c1ccccn1
InChIInChI=1S/C30H21ClN2OSe2/c31-21-19-27(35-22-11-3-1-4-12-22)29(28(20-21)36-23-13-5-2-6-14-23)24-15-7-8-16-25(24)33-30(34)26-17-9-10-18-32-26/h1-20H,(H,33,34)
InChIKeyXYDOXKPHUXNLTK-UHFFFAOYSA-N
MW618.88 g/mol
LogP3.96
Rot. Bonds7

About N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide

N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide (PubChem CID 169094448) has the molecular formula C30H21ClN2OSe2 and a molecular weight of 618.88 g/mol. Its IUPAC name is N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide
PubChem CID169094448
Molecular FormulaC30H21ClN2OSe2
Molecular Weight618.88 g/mol
Exact Mass619.97
IUPAC NameN-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1-c1c([Se]c2ccccc2)cc(Cl)cc1[Se]c1ccccc1)c1ccccn1
InChIInChI=1S/C30H21ClN2OSe2/c31-21-19-27(35-22-11-3-1-4-12-22)29(28(20-21)36-23-13-5-2-6-14-23)24-15-7-8-16-25(24)33-30(34)26-17-9-10-18-32-26/h1-20H,(H,33,34)
InChIKeyXYDOXKPHUXNLTK-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[8-(4-bromophenyl)selanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531882
N-[2-(3-phenylsulfanylnaphthalen-2-yl)phenyl]pyridine-2-carboxamide
CID 169094498
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-(3-chloro-2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 140701994
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide (CID 169094448) is N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1-c1c([Se]c2ccccc2)cc(Cl)cc1[Se]c1ccccc1)c1ccccn1.
What is the InChIKey of N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide?
The InChIKey is XYDOXKPHUXNLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClN2OSe2/c31-21-19-27(35-22-11-3-1-4-12-22)29(28(20-21)36-23-13-5-2-6-14-23)24-15-7-8-16-25(24)33-30(34)26-17-9-10-18-32-26/h1-20H,(H,33,34).
What are the key properties of N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide?
N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide has a molecular weight of 618.88 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2,6-bis(phenylselanyl)phenyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 169094448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).