N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide

C44H29ClN6O2 — CID 159869900

IUPACN-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
SMILESN#Cc1ccc(-c2ccccc2)cc1NC(=O)c1cncc(-c2ccccc2)c1.N#Cc1ccc(Cl)cc1NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C25H17N3O.C19H12ClN3O/c26-15-21-12-11-20(18-7-3-1-4-8-18)14-24(21)28-25(29)23-13-22(16-27-17-23)19-9-5-2-6-10-19;20-17-7-6-14(10-21)18(9-17)23-19(24)16-8-15(11-22-12-16)13-4-2-1-3-5-13/h1-14,16-17H,(H,28,29);1-9,11-12H,(H,23,24)
InChIKeyNSFANQHFVGUDLU-UHFFFAOYSA-N
MW709.21 g/mol
LogP10.07
Rot. Bonds7

About N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide

N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide (PubChem CID 159869900) has the molecular formula C44H29ClN6O2 and a molecular weight of 709.21 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
PubChem CID159869900
Molecular FormulaC44H29ClN6O2
Molecular Weight709.21 g/mol
Exact Mass708.20
IUPAC NameN-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
SMILESN#Cc1ccc(-c2ccccc2)cc1NC(=O)c1cncc(-c2ccccc2)c1.N#Cc1ccc(Cl)cc1NC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C25H17N3O.C19H12ClN3O/c26-15-21-12-11-20(18-7-3-1-4-8-18)14-24(21)28-25(29)23-13-22(16-27-17-23)19-9-5-2-6-10-19;20-17-7-6-14(10-21)18(9-17)23-19(24)16-8-15(11-22-12-16)13-4-2-1-3-5-13/h1-14,16-17H,(H,28,29);1-9,11-12H,(H,23,24)
InChIKeyNSFANQHFVGUDLU-UHFFFAOYSA-N
XLogP10.07
TPSA131.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.21
LogP ≤ 510.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-phenylbenzoate
CID 4858479
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide (CID 159869900) is N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide is N#Cc1ccc(-c2ccccc2)cc1NC(=O)c1cncc(-c2ccccc2)c1.N#Cc1ccc(Cl)cc1NC(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is NSFANQHFVGUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O.C19H12ClN3O/c26-15-21-12-11-20(18-7-3-1-4-8-18)14-24(21)28-25(29)23-13-22(16-27-17-23)19-9-5-2-6-10-19;20-17-7-6-14(10-21)18(9-17)23-19(24)16-8-15(11-22-12-16)13-4-2-1-3-5-13/h1-14,16-17H,(H,28,29);1-9,11-12H,(H,23,24).
What are the key properties of N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide?
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 709.21 g/mol, XLogP of 10.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 159869900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).